SCHEMBL856823

SCHEMBL856823

c1cncc(-c2c[nH]c3ncccc23)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 2/20 0.68
DYRK1A Q13627 7/20 0.66
DYRK1B Q9Y463 1/20 0.66
NUDT1 P36639 1/20 0.64
GSK3B P49841 2/20 0.63
ROCK2 O75116 1/20 0.63
MAP4K4 O95819 1/20 0.63
PIM1 P11309 1/20 0.63
PRKACA P17612 1/20 0.63
CDK2 P24941 1/20 0.63
HIPK2 Q9H2X6 1/20 0.63
CLK4 Q9HAZ1 1/20 0.63
IRAK4 Q9NWZ3 1/20 0.63
IKBKE Q14164 2/20 0.62
PDPK1 O15530 1/20 0.62
TGFBR1 P36897 1/20 0.62
CAMKK2 Q96RR4 2/20 0.61
NTRK1 P04629 1/20 0.60
PIK3CA P42336 1/20 0.60
MAPK1 P28482 1/20 0.59

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
SCHEMBL29869901 1.00 CDC7 (0.68) CDC7DYRK1ADYRK1BNUDT1GSK3B
SCHEMBL29869781 0.88 TGFBR1 (0.60) CDC7DYRK1ADYRK1BGSK3BROCK2
SCHEMBL3740263 0.86 CAMKK2 (0.69) CDC7DYRK1ADYRK1BGSK3BROCK2
SCHEMBL4831547 0.85 DYRK1A (0.56) CDC7DYRK1ADYRK1BNUDT1GSK3B
SCHEMBL857678 0.84 IKBKE (0.64) CDC7DYRK1ADYRK1BGSK3BROCK2
SCHEMBL20292748 0.84 DYRK1B (0.68) CDC7DYRK1ADYRK1BNUDT1GSK3B
SCHEMBL29869591 0.83 CDC7 (0.60) CDC7DYRK1ADYRK1BGSK3BROCK2
SCHEMBL5618155 0.83 TGFBR1 (0.71) CDC7DYRK1ADYRK1BGSK3BROCK2
SCHEMBL858985 0.83 CAMKK2 (0.70) CDC7DYRK1ADYRK1BGSK3BROCK2
SCHEMBL19068218 0.82 DYRK1A (0.64) DYRK1ADYRK1BNTRK1PIK3CACLK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112794851-B 3- (pyridine-3-yl) -7-azaindole derivative PI3K delta inhibitor and preparation method and application thereof 复旦大学 2022-08-23 CN claimed
CN-112794851-A 3- (pyridine-3-yl) -7-azaindole derivative PI3K delta inhibitor and preparation method and application thereof 复旦大学 2021-05-14 CN claimed
CN-118164979-A Azaindole PI3K delta inhibitor, preparation method and application thereof 浙江大学 2024-06-11 CN disclosed
CN-112794851-B 3- (pyridine-3-yl) -7-azaindole derivative PI3K delta inhibitor and preparation method and application thereof 复旦大学 2022-08-23 CN disclosed
CN-112794851-B 3- (pyridine-3-yl) -7-azaindole derivative PI3K delta inhibitor and preparation method and application thereof 复旦大学 2022-08-23 CN disclosed
CN-112794851-B 3- (pyridine-3-yl) -7-azaindole derivative PI3K delta inhibitor and preparation method and application thereof 复旦大学 2022-08-23 CN disclosed
CN-112794851-A 3- (pyridine-3-yl) -7-azaindole derivative PI3K delta inhibitor and preparation method and application thereof 复旦大学 2021-05-14 CN disclosed
CN-112794851-A 3- (pyridine-3-yl) -7-azaindole derivative PI3K delta inhibitor and preparation method and application thereof 复旦大学 2021-05-14 CN disclosed
CN-112794851-A 3- (pyridine-3-yl) -7-azaindole derivative PI3K delta inhibitor and preparation method and application thereof 复旦大学 2021-05-14 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-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-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-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
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 (4 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 CDC7 129/4885DYRK1A 646/4885DYRK1B 830/4885
US-20110059963-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 CDC7 161/4885DYRK1A 604/4885DYRK1B 618/4885
US-20180111929-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 CDC7 161/4885DYRK1A 604/4885DYRK1B 618/4885
US-20100256365-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 CDC7 161/4885DYRK1A 604/4885DYRK1B 618/4885

“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.