SCHEMBL2816002

SCHEMBL2816002

CN1CCN(Cc2ccc(NC(=O)Nc3ccc(-c4cc(C(C)(C)C)nc5[nH]nc(N)c45)cc3)cc2C(F)(F)F)CC1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDR P35968 4/20 0.56
KIT P10721 2/20 0.56
FLT3 P36888 2/20 0.56
CDK1 P06493 1/20 0.55
CDK2 P24941 1/20 0.55
CDK8 P49336 1/20 0.55
SRC P12931 6/20 0.55
ABL1 P00519 6/20 0.53
FGFR4 P22455 5/20 0.53
RET P07949 3/20 0.50
ABL2 P42684 1/20 0.48
EGFR P00533 1/20 0.46
BRAF P15056 1/20 0.46

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
SCHEMBL2818570 0.88 CDK1 (0.55) KDRKITFLT3CDK1CDK2
SCHEMBL2816963 0.87 CDK1 (0.61) KDRKITFLT3CDK1CDK2
SCHEMBL2819588 0.86 ABL1 (0.51) KDRKITFLT3ABL1BRAF
SCHEMBL2818627 0.85 FGFR4 (0.56) KDRCDK1CDK2CDK8SRC
SCHEMBL12973382 0.81 FGFR4 (0.56) KDRCDK1CDK2CDK8SRC
SCHEMBL2819211 0.81 KDR (0.53) KDRKITFLT3CDK1CDK2
SCHEMBL2822262 0.78 KDR (0.58) KDRKITFLT3CDK1CDK2
SCHEMBL2817289 0.78 KDR (0.60) KDRKITFLT3CDK1CDK2
SCHEMBL14367013 0.78 KDR (0.52) KDRKITFLT3CDK1CDK2
SCHEMBL2816153 0.78 KDR (0.68) KDRKITFLT3CDK2CDK8

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 8 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-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-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
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
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.