SCHEMBL2818620

SCHEMBL2818620

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 4/20 0.44
LTK P29376 1/20 0.43
CDK8 P49336 1/20 0.43
MAP2K1 Q02750 1/20 0.43
ROCK1 Q13464 1/20 0.43
NTRK3 Q16288 1/20 0.43
NTRK2 Q16620 1/20 0.43
LIMK1 P53667 1/20 0.43
ABL1 P00519 3/20 0.42
BCR P11274 3/20 0.42
MAPK1 P28482 1/20 0.42
MAP2K4 P45985 1/20 0.42
MAPKAPK2 P49137 1/20 0.42
MAPKAPK3 Q16644 1/20 0.42
MAPK6 Q16659 1/20 0.42
MAPKAPK5 Q8IW41 1/20 0.42
MKNK1 Q9BUB5 3/20 0.42
MKNK2 Q9HBH9 2/20 0.42
CHEK2 O96017 3/20 0.41
FYN P06241 1/20 0.40

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
SCHEMBL2821053 0.84 LTK (0.46) LTKCDK8MAP2K1ROCK1NTRK3
SCHEMBL2818625 0.84 KDR (0.48) IKBKBLTKMAP2K1ROCK1NTRK3
SCHEMBL8401624 0.76 BTK (0.54) BTK
SCHEMBL2817603 0.75 GRK2 (0.50) IKBKBMAPK1MAP2K4MAPKAPK2MAPKAPK3
SCHEMBL2821616 0.73 CSF1R (0.45) IKBKBLIMK1MAPKAPK2MKNK1MKNK2
SCHEMBL2817394 0.73 KDR (0.70) IKBKBROCK1NTRK3NTRK2LIMK1
SCHEMBL2815922 0.71 KDR (0.49) LTKCDK8ROCK1NTRK3NTRK2
SCHEMBL2228840 0.69 KDR (0.42) LTKCDK8ROCK1NTRK3NTRK2
SCHEMBL4857909 0.69 SMN1; SMN2 (0.55) IKBKBROCK1LIMK1FYNBTK
SCHEMBL1459525 0.69 ABL1 (0.43) ABL1BCRMAPK1MAP2K4MAPKAPK2

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 IKBKB 1240/4885LTK 511/4885CDK8 1754/4885

“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.