SCHEMBL857678

SCHEMBL857678

c1cnc2[nH]cc(-c3ccncc3)c2c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IKBKE Q14164 3/20 0.64
▸ PDPK1 O15530 3/20 0.64
▸ TGFBR1 P36897 3/20 0.64
▸ CAMKK2 Q96RR4 2/20 0.63
▸ CDC7 O00311 3/20 0.60
▸ GSK3B P49841 3/20 0.60
▸ CDK2 P24941 3/20 0.60
▸ CLK4 Q9HAZ1 3/20 0.60
▸ ROCK2 O75116 2/20 0.60
▸ MAP4K4 O95819 2/20 0.60
▸ PIM1 P11309 2/20 0.60
▸ PRKACA P17612 2/20 0.60
▸ HIPK2 Q9H2X6 2/20 0.60
▸ IRAK4 Q9NWZ3 1/20 0.60
▸ TBK1 Q9UHD2 3/20 0.59
▸ IMPDH2 P12268 2/20 0.59
▸ MAPK1 P28482 1/20 0.59
▸ HSD17B10 Q99714 1/20 0.59
▸ BRD4 O60885 1/20 0.56
▸ DYRK1A Q13627 4/20 0.55

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3740263 0.87 CAMKK2 (0.69) IKBKEPDPK1TGFBR1CAMKK2CDC7
SCHEMBL5618155 0.85 TGFBR1 (0.71) IKBKEPDPK1TGFBR1CAMKK2CDC7
SCHEMBL858985 0.84 CAMKK2 (0.70) IKBKEPDPK1TGFBR1CAMKK2CDC7
SCHEMBL29869901 0.84 CDC7 (0.68) IKBKEPDPK1TGFBR1CAMKK2CDC7
SCHEMBL856823 0.84 CDC7 (0.68) IKBKEPDPK1TGFBR1CAMKK2CDC7
SCHEMBL20292912 0.84 DYRK1B (0.70) CAMKK2CDC7GSK3BCDK2CLK4
SCHEMBL16720350 0.83 CAMKK2 (0.60) IKBKEPDPK1TGFBR1CAMKK2CDC7
SCHEMBL858766 0.83 CAMKK2 (0.64) IKBKEPDPK1TGFBR1CAMKK2CDC7
SCHEMBL5907880 0.83 CAMKK2 (0.64) IKBKEPDPK1TGFBR1CAMKK2CDC7
SCHEMBL31064980 0.83 CDC7 (0.70) IKBKEPDPK1TGFBR1CAMKK2CDC7

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111819193-A Methods, treatment methods, and compositions for increasing pancreatic beta cell proliferation 西奈山伊坎医学院 2020-10-23 — — CN disclosed
US-20180111929-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC (US) 2018-04-26 — — US disclosed
US-20180111929-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC (US) 2018-04-26 — — US disclosed
US-20160176865-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC (US) 2016-06-23 — — US disclosed
US-20160176865-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC (US) 2016-06-23 — — US disclosed
US-20150290205-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC (US) 2015-10-15 — — US disclosed
US-20150290205-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC (US) 2015-10-15 — — US disclosed
US-20130261117-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2013-10-03 — — US disclosed
US-20130261117-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2013-10-03 — — US disclosed
US-8470818-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2013-06-25 — — US disclosed
US-20120022098-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2012-01-26 — — US disclosed
US-20120022098-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2012-01-26 — — US disclosed
US-20110059963-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON, INC. 2011-03-10 — — US disclosed
US-20110059963-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON, INC. 2011-03-10 — — US disclosed
US-20110015173-A1 PYRROLOPYRIDINE INHIBITORS OF KINASES ABBOTT LABORATORIES (US) 2011-01-20 — — US disclosed
US-7863288-B2 protein kinase modulators such as Propane-1-sulfonic acid [2,4-difluoro-3-(5-ethoxy-1H-pyrrolo[1,3-b]pyridine-3-carbonyl)-phenyl]-amide, used to regulate signal transduction cascades, involved in the control of physiological functions including cellular growth and proliferation; anticarcinogenic agents PLEXXIKON, INC. (US) 2011-01-04 — — US disclosed
US-7863288-B2 protein kinase modulators such as Propane-1-sulfonic acid [2,4-difluoro-3-(5-ethoxy-1H-pyrrolo[1,3-b]pyridine-3-carbonyl)-phenyl]-amide, used to regulate signal transduction cascades, involved in the control of physiological functions including cellular growth and proliferation; anticarcinogenic agents PLEXXIKON, INC. (US) 2011-01-04 — — US disclosed
US-20100256365-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON, INC. 2010-10-07 — — US disclosed
US-20100249118-A1 protein kinase modulators such as Propane-1-sulfonic acid [2,4-difluoro-3-(5-ethoxy-1H-pyrrolo[1,3-b]pyridine-3-carbonyl)-phenyl]-amide, used to regulate signal transduction cascades, involved in the control of physiological functions including cellular growth and proliferation; anticarcinogenic agents PLEXXIKON INC. 2010-09-30 — — US disclosed
WO-2007002433-A1 PYRROLO [2, 3-B] PYRIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS PLEXXIKON, INC. (US) 2007-01-04 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (9 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100249118-A1 protein kinase modulators such as Propane-1-sulfonic acid [2,4-difluoro-3-(5-ethoxy-1H-pyrrolo[1,3-b]pyridine-3-carbonyl)-phenyl]-amide, used to regulate signal transduction cascades, involved in the control of physiological functions including cellular growth and proliferation; anticarcinogenic agents MAP4K1, MAP4K2, MAP3K1 IKBKE 75/4885PDPK1 26/4885TGFBR1 2796/4885
US-20120022098-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 IKBKE 368/4885PDPK1 47/4885TGFBR1 4446/4885
US-20110015173-A1 PYRROLOPYRIDINE INHIBITORS OF KINASES CDC7, MAP3K7, CDK1 IKBKE 577/4885PDPK1 113/4885TGFBR1 2488/4885
US-20110059963-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 IKBKE 368/4885PDPK1 47/4885TGFBR1 4446/4885
US-20130261117-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 IKBKE 368/4885PDPK1 47/4885TGFBR1 4446/4885
US-20180111929-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 IKBKE 368/4885PDPK1 47/4885TGFBR1 4446/4885
US-20150290205-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 IKBKE 368/4885PDPK1 47/4885TGFBR1 4446/4885
US-20160176865-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 IKBKE 368/4885PDPK1 47/4885TGFBR1 4446/4885
US-20100256365-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 IKBKE 368/4885PDPK1 47/4885TGFBR1 4446/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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