SCHEMBL11917643

SCHEMBL11917643

Cc1cc(Nc2n[nH]c3ncc(F)cc23)nc(C2CC2)n1

nearest known ligand 0.62

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 12/20 0.62
GSK3B P49841 12/20 0.62
IGF1R P08069 2/20 0.41
JAK2 O60674 1/20 0.39
RET P07949 3/20 0.38
NTRK1 P04629 2/20 0.37

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
SCHEMBL11917637 0.95 GSK3A (0.69) GSK3AGSK3BIGF1RJAK2RET
SCHEMBL11917635 0.95 GSK3A (0.66) GSK3AGSK3BIGF1RJAK2RET
SCHEMBL11917636 0.94 GSK3A (0.70) GSK3AGSK3BIGF1RJAK2RET
SCHEMBL11917638 0.94 GSK3A (0.70) GSK3AGSK3BIGF1RJAK2RET
SCHEMBL11917640 0.92 GSK3A (0.71) GSK3AGSK3BIGF1RRET
SCHEMBL11917632 0.92 GSK3A (0.56) GSK3AGSK3BIGF1RJAK2RET
SCHEMBL11917641 0.85 GSK3A (0.71) GSK3AGSK3BIGF1RJAK2RET
SCHEMBL3139887 0.82 GSK3A (0.54) GSK3AGSK3BIGF1RJAK2NTRK1
SCHEMBL12303090 0.81 GSK3A (0.89) GSK3AGSK3BIGF1RNTRK1
SCHEMBL11917645 0.79 GSK3A (0.72) GSK3AGSK3BJAK2NTRK1

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140194444-A1 AMINOPYRIMIDINES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED 2014-07-10 US disclosed
US-20140194444-A1 AMINOPYRIMIDINES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED 2014-07-10 US disclosed
US-8664219-B2 Aminopyrimidines useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-03-04 US disclosed
US-8664219-B2 Aminopyrimidines useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-03-04 US disclosed
US-20120232275-A1 PROCESS FOR PREPARING 5-FLUORO-1H-PYRAZOLO [3,4-B] PYRIDIN-3-AMINE AND DERIVATIVES THEREOF VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-09-13 US disclosed
US-20120232275-A1 PROCESS FOR PREPARING 5-FLUORO-1H-PYRAZOLO [3,4-B] PYRIDIN-3-AMINE AND DERIVATIVES THEREOF VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-09-13 US disclosed
US-8242272-B2 Process for preparing 5-fluoro-1H-pyrazolo [3,4-B] pyridin-3-amine and derivatives thereof VERTEX PHARMACEUTICALS INC. (US) 2012-08-14 US disclosed
US-8242272-B2 Process for preparing 5-fluoro-1H-pyrazolo [3,4-B] pyridin-3-amine and derivatives thereof VERTEX PHARMACEUTICALS INC. (US) 2012-08-14 US disclosed
US-20110224197-A1 PYRIMIDINES AND PYRIDINES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-09-15 US disclosed
US-20110224197-A1 PYRIMIDINES AND PYRIDINES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-09-15 US disclosed
US-20110020376-A1 AMINOPYRIMIDINES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-01-27 US disclosed
US-20110020376-A1 AMINOPYRIMIDINES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-01-27 US disclosed
US-20100184980-A1 Process for Preparing 5-Fluoro-1H-Pyrazolo [3,4-b] Pyridin-3-amine and Derivatives Thereof VERTEX PHARMACEUTICALS INCORPORATED 2010-07-22 US disclosed
US-20100184980-A1 Process for Preparing 5-Fluoro-1H-Pyrazolo [3,4-b] Pyridin-3-amine and Derivatives Thereof VERTEX PHARMACEUTICALS INCORPORATED 2010-07-22 US disclosed
WO-2009145814-A9 PYRIMIDINES AND PYRIDINES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-05-14 WO disclosed
WO-2009145814-A2 PYRIMIDINES AND PYRIDINES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-12-03 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 (5 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-20110020376-A1 AMINOPYRIMIDINES USEFUL AS INHIBITORS OF PROTEIN KINASES PRKDC, MAP3K5, MAP3K20 GSK3A 331/4885GSK3B 371/4885IGF1R 2469/4885
US-20120232275-A1 PROCESS FOR PREPARING 5-FLUORO-1H-PYRAZOLO [3,4-B] PYRIDIN-3-AMINE AND DERIVATIVES THEREOF GSK3B, GSK3A, GSKIP GSK3A 2/4885GSK3B 1/4885IGF1R 3065/4885
US-20140194444-A1 AMINOPYRIMIDINES USEFUL AS INHIBITORS OF PROTEIN KINASES PRKDC, MAP3K5, MAP3K20 GSK3A 331/4885GSK3B 371/4885IGF1R 2469/4885
US-20100184980-A1 Process for Preparing 5-Fluoro-1H-Pyrazolo [3,4-b] Pyridin-3-amine and Derivatives Thereof GSK3B, GSK3A, GSKIP GSK3A 2/4885GSK3B 1/4885IGF1R 3065/4885
US-20110224197-A1 PYRIMIDINES AND PYRIDINES USEFUL AS INHIBITORS OF PROTEIN KINASES GSK3B, CDK3, GSK3A GSK3A 3/4885GSK3B 1/4885IGF1R 2476/4885

“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.