SCHEMBL412398

SCHEMBL412398

O=C(c1c(F)ccc(OCc2cccc(Cl)c2)c1Cl)c1c[nH]c2ncccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPIF P30405 1/20 0.47
BRAF P15056 3/20 0.45
SGMS2 Q8NHU3 1/20 0.44
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MAP2K1 Q02750 2/20 0.42
MRGPRX4 Q96LA9 1/20 0.41
PDPK1 O15530 1/20 0.41
MAOB P27338 1/20 0.41
LRRK2 Q5S007 2/20 0.41
CDK8 P49336 2/20 0.41
CDC7 O00311 1/20 0.41
ROCK2 O75116 1/20 0.41
ROCK1 Q13464 1/20 0.41
DYRK1A Q13627 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41
STK17A Q9UEE5 1/20 0.41

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
SCHEMBL416021 0.92 BRAF (0.47) BRAFMAP2K1LRRK2PPIAADORA2A
SCHEMBL413359 0.90 BRAF (0.47) BRAFKDM4EL3MBTL1MAP2K1LRRK2
SCHEMBL1054728 0.83 BRAF (0.53) BRAFMAP2K1LRRK2CDK8CDC7
SCHEMBL1054378 0.83 BRAF (0.50) BRAFSGMS2MAP2K1LRRK2CDK8
SCHEMBL17854927 0.82 BRAF (0.52) BRAFKDM4EL3MBTL1MAP2K1LRRK2
SCHEMBL412855 0.82 BRAF (0.53) BRAFSGMS2MAP2K1LRRK2CDK8
SCHEMBL411032 0.81 MAP2K1 (0.45) BRAFKDM4ELMNAL3MBTL1MAP2K1
SCHEMBL410804 0.80 BRAF (0.52) BRAFMAP2K1LRRK2CDK8ADORA2A
SCHEMBL412466 0.80 BRAF (0.49) BRAFMAP2K1MRGPRX4CDK8KDR
SCHEMBL411342 0.79 BRAF (0.53) BRAFMAP2K1LRRK2CDK8ADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20180111929-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC (US) 2018-04-26 US disclosed
EP-3088400-A1 PYRROLO[2,3-B]PYRIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS PLEXXIKON INC. (US) 2016-11-02 EP 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-20160176865-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC (US) 2016-06-23 US disclosed
EP-2395004-B1 Pyrrolo [2,3-b]pyridine derivatives as protein kinase inhibitors PLEXXIKON INC (US) 2016-01-20 EP 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-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-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-20080221148-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC 2008-09-11 US disclosed
US-20080221148-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC 2008-09-11 US disclosed
US-20080221148-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC 2008-09-11 US disclosed
CN-101243084-A Pyrrolo [2, 3-B ] pyridine derivatives as protein kinase inhibitors PLEXXIKON INC (US) 2008-08-13 CN disclosed
WO-2007002325-A1 PYRROLO[2,3-B] PYRIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS PLEXXIKON, INC. (US) 2007-01-04 WO 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 (6 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 PPIF 1659/4885BRAF 95/4885SGMS2 3240/4885
US-20180111929-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 PPIF 1559/4885BRAF 48/4885SGMS2 2738/4885
US-20150290205-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 PPIF 1559/4885BRAF 48/4885SGMS2 2738/4885
US-20160176865-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 PPIF 1559/4885BRAF 48/4885SGMS2 2738/4885
US-20080221148-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 PPIF 1559/4885BRAF 48/4885SGMS2 2738/4885
US-20100256365-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 PPIF 1559/4885BRAF 48/4885SGMS2 2738/4885

“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.