SCHEMBL690863

SCHEMBL690863

O=C(O)c1cccc(Nc2cc(Cl)ncc2Cl)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RHOA P61586 1/20 0.51
AURKA O14965 2/20 0.51
CDC25B P30305 8/20 0.50
MEN1 O00255 2/20 0.49
ALDH1A1 P00352 2/20 0.49
MAPT P10636 2/20 0.49
KMT2A Q03164 2/20 0.49
RAB9A P51151 4/20 0.49
NPC1 O15118 3/20 0.49
CDC25A P30304 2/20 0.49
LMNA P02545 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
CDC25C P30307 1/20 0.49
AKR1C3 P42330 2/20 0.48
AKR1C2 P52895 2/20 0.48
MAP2K7 O14733 1/20 0.48
NSD2 O96028 1/20 0.48
MAPK1 P28482 1/20 0.48
HTT P42858 1/20 0.48
MCL1 Q07820 1/20 0.48

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
SCHEMBL657698 0.76 AURKA (0.50) RHOAAURKACDC25BMEN1KMT2A
SCHEMBL691627 0.75 PTK2 (0.45) RHOAAURKAMEN1ALDH1A1MAPT
SCHEMBL659291 0.75 AKR1C3 (0.50) AURKAMEN1ALDH1A1MAPTKMT2A
SCHEMBL693586 0.74 PBRM1 (0.56) AURKAMEN1MAPTKMT2ALMNA
SCHEMBL10439651 0.74 L3MBTL1 (0.59) RHOAAURKACDC25BMEN1ALDH1A1
SCHEMBL30379619 0.74 MAPT (0.55) MEN1MAPTKMT2AAKR1C3AKR1C2
SCHEMBL21600853 0.74 MAPT (0.55) MEN1MAPTKMT2AAKR1C3AKR1C2
SCHEMBL2365741 0.73 MEN1 (0.62) RHOAAURKACDC25BMEN1ALDH1A1
SCHEMBL30487678 0.72 AKR1C3 (0.70) RHOACDC25BMAPTCDC25ACDC25C
3-Phenylamino Benzoic Acid SCHEMBL4345076 0.71 RHOA (0.77) RHOACDC25BMEN1ALDH1A1MAPT

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 RHOA 210/4885AURKA 673/4885CDC25B 625/4885
US-20160095841-A1 PYRAZOLYLAMINOPYRIDINES AS INHIBITORS OF FAK PTK2, PAK1, CTTN RHOA 210/4885AURKA 673/4885CDC25B 625/4885
US-20150265589-A1 PYRAZOLYLAMINOPYRIDINES AS INHIBITORS OF FAK PTK2, PAK1, CTTN RHOA 210/4885AURKA 673/4885CDC25B 625/4885
US-20100113475-A1 PYRAZOLYLAMINOPYRIDINES AS INHIBITORS OF FAK PTK2, PAK1, CTTN RHOA 210/4885AURKA 673/4885CDC25B 625/4885
US-20110207743-A1 PYRAZOLYLAMINOPYRIDINES AS INHIBITORS OF FAK PTK2, PAK1, CTTN RHOA 210/4885AURKA 673/4885CDC25B 625/4885
US-20140107131-A1 PYRAZOLYLAMINOPYRIDINES AS INHIBITORS OF FAK PTK2, PAK1, CTTN RHOA 210/4885AURKA 673/4885CDC25B 625/4885
US-20140155410-A1 PYRAZOLYLAMINOPYRIDINES AS INHIBITORS OF FAK PTK2, PAK1, CTTN RHOA 210/4885AURKA 673/4885CDC25B 625/4885

“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.