SCHEMBL2817558

SCHEMBL2817558

CN1CCN(Cc2ccc(NC(=O)Nc3ccc(-c4ccnc5c4c(N)nn5C)cc3)cc2C(F)(F)F)CC1

nearest known ligand 0.72

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 11/20 0.72
SRC P12931 8/20 0.72
KIT P10721 4/20 0.72
KDR P35968 4/20 0.72
CSF1R P07333 3/20 0.72
BLK P51451 3/20 0.72
FLT3 P36888 3/20 0.72
LCK P06239 2/20 0.72
LYN P07948 2/20 0.72
FLT1 P17948 2/20 0.72
FLT4 P35916 2/20 0.72
FYN P06241 1/20 0.65
CDK1 P06493 1/20 0.61
CDK2 P24941 1/20 0.61
CDK8 P49336 1/20 0.61
RET P07949 2/20 0.59
FGFR4 P22455 1/20 0.57
ABL2 P42684 5/20 0.57
MAPK14 Q16539 3/20 0.55

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
SCHEMBL2822774 0.89 KIT (0.66) ABL1SRCKITKDRCSF1R
SCHEMBL2816963 0.87 CDK1 (0.61) ABL1SRCKITKDRCSF1R
SCHEMBL2818570 0.87 CDK1 (0.55) ABL1SRCKITKDRCSF1R
SCHEMBL13041830 0.86 CDK1 (0.54) ABL1SRCKITKDRCSF1R
SCHEMBL2818510 0.85 SRC (0.60) ABL1SRCKDRCDK1CDK2
SCHEMBL1702853 0.84 KDR (1.00) ABL1SRCKITKDRCSF1R
SCHEMBL13041903 0.83 FGFR4 (0.51) ABL1SRCKITKDRCSF1R
SCHEMBL2819608 0.82 KDR (0.69) ABL1SRCKITKDRCSF1R
SCHEMBL12973418 0.81 FGFR4 (0.57) ABL1SRCKDRCDK1CDK2
SCHEMBL24449268 0.81 ABL1 (0.59) ABL1SRCKDRCDK1CDK2

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 7 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

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 ABL1 37/4885SRC 831/4885KIT 18/4885

“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.