SCHEMBL691627

SCHEMBL691627

Cc1cc(Nc2cc(Nc3cccc(C(=O)O)c3)c(Cl)cn2)n(C)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 1/20 0.45
ALDH1A1 P00352 2/20 0.43
POLB P06746 1/20 0.43
AURKA O14965 2/20 0.42
MAPK1 P28482 2/20 0.42
MAPK3 P27361 1/20 0.42
RPS6KA1 Q15418 1/20 0.42
EGFR P00533 1/20 0.42
FGFR1 P11362 1/20 0.42
TP53 P04637 1/20 0.41
TSHR P16473 1/20 0.41
RECQL P46063 1/20 0.41
GAA P10253 1/20 0.40
GFER P55789 1/20 0.40
MAPT P10636 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
AKR1B10 O60218 1/20 0.39
AKR1B1 P15121 1/20 0.39
AKR1C4 P17516 1/20 0.39

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
SCHEMBL697233 0.82 PTK2 (0.60) PTK2MAPK1MAPK3GFERMAPT
SCHEMBL12102982 0.78 PTK2 (0.60) PTK2MAPK1MAPK3RPS6KA1GFER
SCHEMBL1292918 0.76 PTK2 (0.63) PTK2MAPK1MAPK3
SCHEMBL16458989 0.76 MAPK1 (0.46) PTK2ALDH1A1MAPK1MAPK3RPS6KA1
SCHEMBL690863 0.75 RHOA (0.51) ALDH1A1AURKAMAPK1MAPTMEN1
SCHEMBL691054 0.74 PTK2 (0.61) PTK2ALDH1A1MAPK1MAPK3RPS6KA1
SCHEMBL690133 0.74 MAPK1 (0.55) PTK2MAPK1MAPK3RPS6KA1
SCHEMBL15511905 0.74 MAPK1 (0.58) MAPK1MAPK3RPS6KA1GAAGFER
SCHEMBL691670 0.74 PTK2 (0.79) PTK2MAPK1MAPK3RPS6KA1GFER
SCHEMBL691559 0.73 MAPK1 (0.56) PTK2MAPK1MAPK3RPS6KA1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9446034-B2 Pyrazolylaminopyridines as inhibitors of FAK GLAXOSMITHKLINE LLC (US) 2016-09-20 US disclosed
US-20160095841-A1 PYRAZOLYLAMINOPYRIDINES AS INHIBITORS OF FAK GLAXOSMITHKLINE LLC 2016-04-07 US disclosed
US-20150265589-A1 PYRAZOLYLAMINOPYRIDINES AS INHIBITORS OF FAK GLAXOSMITHKLINE LLC 2015-09-24 US disclosed
US-9012479-B2 Pyrazolylaminopyridines as inhibitors of FAK GLAXOSMITHKLINE LLC (US) 2015-04-21 US disclosed
US-20140155410-A1 PYRAZOLYLAMINOPYRIDINES AS INHIBITORS OF FAK GLAXOSMITHKLINE LLC (US) 2014-06-05 US disclosed
US-20140107131-A1 PYRAZOLYLAMINOPYRIDINES AS INHIBITORS OF FAK GLAXOSMITHKLINE LLC (US) 2014-04-17 US disclosed
EP-2421537-A1 PYRAZOLYLAMINOPYRIDINES AS INHIBITORS OF FAK GlaxoSmithKline LLC (US) 2012-02-29 EP disclosed
US-20110269774-A1 PYRAZOLYLAMINOPYRIDINES AS INHIBITORS OF FAK GLAXOSMITHKLINE LLC 2011-11-03 US disclosed
US-20110207743-A1 PYRAZOLYLAMINOPYRIDINES AS INHIBITORS OF FAK GLAXOSMITHKLINE LLC 2011-08-25 US disclosed
WO-2010062578-A1 PYRAZOLYLAMINOPYRIDINES AS INHIBITORS OF FAK GLAXOSMITHKLINE LLC (US) 2010-06-03 WO disclosed
US-20100113475-A1 PYRAZOLYLAMINOPYRIDINES AS INHIBITORS OF FAK GLAXOSMITHKLINE LLC 2010-05-06 US 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 (7 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-20110269774-A1 PYRAZOLYLAMINOPYRIDINES AS INHIBITORS OF FAK PTK2, PAK1, CTTN PTK2 1/4885ALDH1A1 2365/4885POLB 2757/4885
US-20160095841-A1 PYRAZOLYLAMINOPYRIDINES AS INHIBITORS OF FAK PTK2, PAK1, CTTN PTK2 1/4885ALDH1A1 2365/4885POLB 2757/4885
US-20150265589-A1 PYRAZOLYLAMINOPYRIDINES AS INHIBITORS OF FAK PTK2, PAK1, CTTN PTK2 1/4885ALDH1A1 2365/4885POLB 2757/4885
US-20100113475-A1 PYRAZOLYLAMINOPYRIDINES AS INHIBITORS OF FAK PTK2, PAK1, CTTN PTK2 1/4885ALDH1A1 2365/4885POLB 2757/4885
US-20110207743-A1 PYRAZOLYLAMINOPYRIDINES AS INHIBITORS OF FAK PTK2, PAK1, CTTN PTK2 1/4885ALDH1A1 2365/4885POLB 2757/4885
US-20140107131-A1 PYRAZOLYLAMINOPYRIDINES AS INHIBITORS OF FAK PTK2, PAK1, CTTN PTK2 1/4885ALDH1A1 2365/4885POLB 2757/4885
US-20140155410-A1 PYRAZOLYLAMINOPYRIDINES AS INHIBITORS OF FAK PTK2, PAK1, CTTN PTK2 1/4885ALDH1A1 2365/4885POLB 2757/4885

“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.