SCHEMBL691703

SCHEMBL691703

CCn1nc(CC(=O)O)cc1N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.42
HSD17B10 Q99714 3/20 0.40
GABRA5 P31644 2/20 0.40
GABRB2 P47870 2/20 0.40
GAA P10253 1/20 0.39
ADORA2A P29274 2/20 0.38
ADORA2B P29275 2/20 0.38
ALDH1A1 P00352 6/20 0.36
LMNA P02545 1/20 0.36
KDM4E B2RXH2 3/20 0.36
HPGD P15428 2/20 0.36
TSHR P16473 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
POLB P06746 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
GABRP O00591 1/20 0.35
GABRD O14764 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRB1 P18505 1/20 0.35
GABRG2 P18507 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
SCHEMBL11686339 0.83 L3MBTL1 (0.46) GAAADORA2AADORA2BALDH1A1KDM4E
SCHEMBL691163 0.78 SMN1; SMN2 (0.41) GAAALDH1A1HPGDTSHRL3MBTL1
SCHEMBL1292978 0.77 ADORA2A (0.42) MAPTADORA2AADORA2BALDH1A1TSHR
SCHEMBL11691084 0.77 ADORA2A (0.45) GAAADORA2AADORA2BKDM4EHPGD
SCHEMBL1292982 0.74 ADORA2A (0.40) ADORA2AADORA2BPOLB
SCHEMBL13870783 0.72 HTT (0.35) HSD17B10GAAADORA2AADORA2BALDH1A1
SCHEMBL17111109 0.71 CYP1A2 (0.51) MAPTALDH1A1LMNAKDM4EHPGD
Oxalic Acid SCHEMBL1013112 0.71 GRN (0.44) MAPTGAAALDH1A1KDM4EAURKA
SCHEMBL692968 0.70 ADORA2A (0.40) ADORA2AADORA2BPOLB
SCHEMBL690635 0.70 ADORA2A (0.40) HSD17B10ADORA2AADORA2BALDH1A1LMNA

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 14 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
CN-102264371-B Pyrazolylaminopyridines as inhibitors of FAK GLAXOSMITHKLINE LLC 2013-10-02 CN disclosed
EP-2421537-A1 PYRAZOLYLAMINOPYRIDINES AS INHIBITORS OF FAK GlaxoSmithKline LLC (US) 2012-02-29 EP disclosed
CN-102264371-A Pyrazolylaminopyridines as inhibitors of fak 2011-11-30 CN 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
US-4026931-A AZO DYES, FIBER-REACTIVE; INDOLE OR 5-AMINO-PYRAZOLE COUPLING COMPONENT BAYER AKTIENGESELLSCHAFT (DT) 1977-05-31 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 MAPT 4138/4885HSD17B10 4787/4885GABRA5 2327/4885
US-20160095841-A1 PYRAZOLYLAMINOPYRIDINES AS INHIBITORS OF FAK PTK2, PAK1, CTTN MAPT 4138/4885HSD17B10 4787/4885GABRA5 2327/4885
US-20150265589-A1 PYRAZOLYLAMINOPYRIDINES AS INHIBITORS OF FAK PTK2, PAK1, CTTN MAPT 4138/4885HSD17B10 4787/4885GABRA5 2327/4885
US-20100113475-A1 PYRAZOLYLAMINOPYRIDINES AS INHIBITORS OF FAK PTK2, PAK1, CTTN MAPT 4138/4885HSD17B10 4787/4885GABRA5 2327/4885
US-20110207743-A1 PYRAZOLYLAMINOPYRIDINES AS INHIBITORS OF FAK PTK2, PAK1, CTTN MAPT 4138/4885HSD17B10 4787/4885GABRA5 2327/4885
US-20140107131-A1 PYRAZOLYLAMINOPYRIDINES AS INHIBITORS OF FAK PTK2, PAK1, CTTN MAPT 4138/4885HSD17B10 4787/4885GABRA5 2327/4885
US-20140155410-A1 PYRAZOLYLAMINOPYRIDINES AS INHIBITORS OF FAK PTK2, PAK1, CTTN MAPT 4138/4885HSD17B10 4787/4885GABRA5 2327/4885

“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.