SCHEMBL2818625

SCHEMBL2818625

Cc1cc(-c2ccc(N)cc2)c2c(N)n[nH]c2n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 6/20 0.48
KIT P10721 3/20 0.48
FLT3 P36888 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
MAPT P10636 1/20 0.46
GFER P55789 1/20 0.46
ROCK1 Q13464 4/20 0.43
AURKA O14965 3/20 0.43
AURKB Q96GD4 3/20 0.43
PDPK1 O15530 1/20 0.43
TGFBR1 P36897 1/20 0.43
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
DHFR P00374 1/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.38
PPARG P37231 1/20 0.38

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
SCHEMBL2818620 0.84 IKBKB (0.44) KDRKITFLT3ROCK1IKBKB
SCHEMBL8401624 0.83 BTK (0.54)
SCHEMBL2821058 0.81 KDR (0.44) KDRKITFLT3SMN1; SMN2NPC1
SCHEMBL2228840 0.75 KDR (0.42) KDRKITFLT3SMN1; SMN2NPC1
SCHEMBL4857909 0.75 SMN1; SMN2 (0.55) KDRSMN1; SMN2NPC1RAB9AMAPT
SCHEMBL2230496 0.74 KDM4E (0.57) FLT3SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL6115702 0.73 BTK (0.58) NPC1RAB9AMKNK2
SCHEMBL2235173 0.73 KDR (0.55) KDRKITFLT3ROCK1AURKA
SCHEMBL2817605 0.73 ADORA2A (0.45) SMN1; SMN2NPC1RAB9AMAPTGFER
SCHEMBL13329661 0.72 ACHE (0.59) KDRAURKAAURKBPDPK1TGFBR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2061790-B1 Substituted aminopyrazolopyridines and salts thereof, their preparations and pharmaceutical compositions comprising them BAYER IP GMBH (DE) 2014-08-13 EP disclosed
US-7846928-B2 Substituted pyrazolopyridines and salts thereof, pharmaceutical compositions comprising same, methods of preparing same and uses of same BAYER SCHERING PHARMA AG (DE) 2010-12-07 US disclosed
US-20080058326-A1 SUBSTITUTED PYRAZOLOPYRIDINES AND SALTS THEREOF, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, METHODS OF PREPARING SAME AND USES OF SAME BAYER INTELLECTUAL PROPERTY GMBH (DE) 2008-03-06 US disclosed
EP-1867648-A1 Substituted aminopyrazolopyridines and salts thereof, their preparations and pharmaceutical compositions comprising them. Bayer Schering Pharma Aktiengesellschaft (DE) 2007-12-19 EP 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 (1 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-20080058326-A1 SUBSTITUTED PYRAZOLOPYRIDINES AND SALTS THEREOF, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, METHODS OF PREPARING SAME AND USES OF SAME KDR, TIE1, FLT1 KDR 1/4885KIT 18/4885FLT3 39/4885

“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.