SCHEMBL691163

SCHEMBL691163

CCn1nc(CC(=O)N2CCCC2)cc1N

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.41
POLB P06746 1/20 0.41
HPGD P15428 5/20 0.40
ECE2 P0DPD6 1/20 0.40
USP2 O75604 1/20 0.40
SPR P35270 2/20 0.39
NPC1 O15118 2/20 0.38
BCAT2 O15382 1/20 0.38
MAPK1 P28482 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ADRB2 P07550 1/20 0.37
APOBEC3A P31941 1/20 0.37
APOBEC3G Q9HC16 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL691703 0.78 MAPT (0.42) POLBHPGDMAPK1L3MBTL1ALDH1A1
SCHEMBL691977 0.74 KMT2A (0.38) POLBHPGDECE2NPC1BCAT2
SCHEMBL691064 0.71 HRH3 (0.48) L3MBTL1
SCHEMBL1292978 0.70 ADORA2A (0.42) POLBMAPK1L3MBTL1ALDH1A1TSHR
SCHEMBL11691084 0.69 ADORA2A (0.45) SMN1; SMN2POLBHPGDNPC1L3MBTL1
SCHEMBL11686339 0.69 L3MBTL1 (0.46) NPC1L3MBTL1ALDH1A1GAA
SCHEMBL1292982 0.67 ADORA2A (0.40) POLB
SCHEMBL3620336 0.66 GABRA5 (0.57) SMN1; SMN2HPGDUSP2NPC1
SCHEMBL15646397 0.66 ALDH1A1 (0.60) SMN1; SMN2POLBHPGDECE2USP2
SCHEMBL5807811 0.66 HSD11B1 (0.48) SMN1; SMN2POLBHPGDECE2USP2

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 32 patents — showing the first 20. 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-9446034-B2 Pyrazolylaminopyridines as inhibitors of FAK GLAXOSMITHKLINE LLC (US) 2016-09-20 US disclosed
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-20160095841-A1 PYRAZOLYLAMINOPYRIDINES AS INHIBITORS OF FAK GLAXOSMITHKLINE LLC 2016-04-07 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-20150265589-A1 PYRAZOLYLAMINOPYRIDINES AS INHIBITORS OF FAK GLAXOSMITHKLINE LLC 2015-09-24 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-20110269774-A1 PYRAZOLYLAMINOPYRIDINES AS INHIBITORS OF FAK GLAXOSMITHKLINE LLC 2011-11-03 US 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
US-20110207743-A1 PYRAZOLYLAMINOPYRIDINES AS INHIBITORS OF FAK GLAXOSMITHKLINE LLC 2011-08-25 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
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-20100113475-A1 PYRAZOLYLAMINOPYRIDINES AS INHIBITORS OF FAK GLAXOSMITHKLINE LLC 2010-05-06 US 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 (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-20110269774-A1 PYRAZOLYLAMINOPYRIDINES AS INHIBITORS OF FAK PTK2, PAK1, CTTN SMN1; SMN2 2507/4885POLB 2757/4885HPGD 3079/4885
US-20160095841-A1 PYRAZOLYLAMINOPYRIDINES AS INHIBITORS OF FAK PTK2, PAK1, CTTN SMN1; SMN2 2507/4885POLB 2757/4885HPGD 3079/4885
US-20150265589-A1 PYRAZOLYLAMINOPYRIDINES AS INHIBITORS OF FAK PTK2, PAK1, CTTN SMN1; SMN2 2507/4885POLB 2757/4885HPGD 3079/4885
US-20100113475-A1 PYRAZOLYLAMINOPYRIDINES AS INHIBITORS OF FAK PTK2, PAK1, CTTN SMN1; SMN2 2507/4885POLB 2757/4885HPGD 3079/4885
US-20110207743-A1 PYRAZOLYLAMINOPYRIDINES AS INHIBITORS OF FAK PTK2, PAK1, CTTN SMN1; SMN2 2507/4885POLB 2757/4885HPGD 3079/4885

“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.