SCHEMBL3235485

SCHEMBL3235485

FC(F)(F)c1ccc(Cl)nc1-c1n[nH]c2ncccc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 3/20 0.38
CDK2 P24941 3/20 0.37
CDK9 P50750 3/20 0.37
CCNT1 O60563 2/20 0.37
CCNK O75909 2/20 0.37
CCNE1 P24864 2/20 0.37
CDK12 Q9NYV4 2/20 0.37
CCNB2 O95067 1/20 0.36
CDK1 P06493 1/20 0.36
RET P07949 1/20 0.36
CCNB1 P14635 1/20 0.36
CCNB3 Q8WWL7 1/20 0.36
CDC7 O00311 2/20 0.35
MAP4K4 O95819 2/20 0.35
PIM1 P11309 2/20 0.35
PRKACA P17612 2/20 0.35
GSK3B P49841 2/20 0.35
HIPK2 Q9H2X6 1/20 0.35
MKNK2 Q9HBH9 1/20 0.35
IRAK4 Q9NWZ3 1/20 0.35

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
SCHEMBL17525833 0.84 CDK2 (0.37) GRM4CDK2CDK9CCNT1CCNK
SCHEMBL13535278 0.83 TRPV1 (0.39) CCNB2CDK1RETCCNB1CCNB3
SCHEMBL9882401 0.80 RPS6KA5 (0.35) GRM4CDK2CDK9CDC7MAP4K4
SCHEMBL10458860 0.77 CCNK (0.46) CDK2CDK9CCNT1CCNKCCNE1
SCHEMBL10459366 0.77 PRKCA (0.40) CDK2CDK9CCNT1CCNKCCNE1
SCHEMBL9882360 0.77 CCNT1 (0.43) CDK2CDK9CCNT1CCNKCCNE1
SCHEMBL10459336 0.77 CDK2 (0.35) CDK2CDK9CCNT1CCNKCCNE1
SCHEMBL10458867 0.77 CDK2 (0.33) CDK2CDK9CCNT1CCNKCCNE1
SCHEMBL9881935 0.77 PRKCQ (0.53) CDK2CDK9CCNT1CCNKCCNE1
SCHEMBL10459483 0.77 GRM4 (0.38) GRM4ROCK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2318408-B1 TRI-CYCLIC PYRAZOLOPYRIDINE KINASE INHIBITORS VERTEX PHARMA (US) 2016-02-17 EP disclosed
EP-2318408-B1 TRI-CYCLIC PYRAZOLOPYRIDINE KINASE INHIBITORS VERTEX PHARMA (US) 2016-02-17 EP disclosed
US-9193722-B2 Tri-cyclic pyrazolopyridine kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-11-24 US disclosed
US-9193722-B2 Tri-cyclic pyrazolopyridine kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-11-24 US disclosed
US-9137973-B2 Pyrazolopyridine kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-09-22 US disclosed
US-9137973-B2 Pyrazolopyridine kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-09-22 US disclosed
US-9029546-B2 Pyrazolopyridine kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-05-12 US disclosed
US-9029546-B2 Pyrazolopyridine kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-05-12 US disclosed
US-20140148434-A1 PYRAZOLOPYRIDINE KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-05-29 US disclosed
US-20140148434-A1 PYRAZOLOPYRIDINE KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-05-29 US disclosed
US-20130252939-A1 TRI-CYCLIC PYRAZOLOPYRIDINE KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-09-26 US disclosed
EP-2318407-B1 PYRAZOLOPYRIDINE KINASE INHIBITORS VERTEX PHARMA (US) 2013-01-02 EP disclosed
EP-2318407-B1 PYRAZOLOPYRIDINE KINASE INHIBITORS VERTEX PHARMA (US) 2013-01-02 EP disclosed
US-20120184524-A1 PYRAZOLOPYRIDINE KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2012-07-19 US disclosed
US-20120184524-A1 PYRAZOLOPYRIDINE KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2012-07-19 US disclosed
US-20120136000-A1 TRI-CYCLIC PYRAZOLOPYRIDINE KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2012-05-31 US disclosed
US-20120136000-A1 TRI-CYCLIC PYRAZOLOPYRIDINE KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2012-05-31 US disclosed
WO-2010011756-A1 PYRAZOLOPYRIDINE KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-01-28 WO disclosed
WO-2010011756-A1 PYRAZOLOPYRIDINE KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-01-28 WO disclosed
WO-2010011772-A2 TRI-CYCLIC PYRAZOLOPYRIDINE KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-01-28 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-20130252939-A1 TRI-CYCLIC PYRAZOLOPYRIDINE KINASE INHIBITORS MAP3K20, MAP3K5, PRKACA GRM4 4003/4885CDK2 105/4885CDK9 161/4885
US-20120136000-A1 TRI-CYCLIC PYRAZOLOPYRIDINE KINASE INHIBITORS MAP3K20, MAP3K5, PRKACA GRM4 4003/4885CDK2 105/4885CDK9 161/4885
US-20140148434-A1 PYRAZOLOPYRIDINE KINASE INHIBITORS MAP3K5, MAP3K20, MAP3K1 GRM4 3570/4885CDK2 77/4885CDK9 178/4885
US-20120184524-A1 PYRAZOLOPYRIDINE KINASE INHIBITORS MAP3K5, MAP3K20, MAP3K1 GRM4 3570/4885CDK2 77/4885CDK9 178/4885

“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.