SCHEMBL2819280

SCHEMBL2819280

CS(=O)(=O)Oc1nc(C2CCCCC2)cc(-c2ccc(N)cc2)c1C#N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.47
ADORA1 P30542 1/20 0.47
KDM4E B2RXH2 9/20 0.46
ALDH1A1 P00352 9/20 0.46
HPGD P15428 8/20 0.46
NPSR1 Q6W5P4 5/20 0.46
KMT2A Q03164 5/20 0.46
MAPT P10636 4/20 0.46
MEN1 O00255 3/20 0.46
TSHR P16473 2/20 0.46
HSD17B10 Q99714 2/20 0.46
GAA P10253 4/20 0.41
SQOR Q9Y6N5 1/20 0.40
L3MBTL1 Q9Y468 4/20 0.39
HTT P42858 2/20 0.39
MAPK1 P28482 1/20 0.39
GLA P06280 1/20 0.39
GFER P55789 1/20 0.39
CTSK P43235 3/20 0.37
CTSS P25774 2/20 0.37

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
SCHEMBL2817343 0.97 ADORA2A (0.48) ADORA2AADORA1KDM4EALDH1A1HPGD
SCHEMBL4423976 0.87 ADORA2A (0.47) ADORA2AADORA1KDM4EALDH1A1HPGD
SCHEMBL2817398 0.86 IKBKB (0.42) ADORA2AADORA1KDM4EALDH1A1HPGD
SCHEMBL4434334 0.83 ADORA2A (0.48) ADORA2AADORA1KDM4EALDH1A1HPGD
SCHEMBL2818080 0.82 IKBKB (0.42) ADORA2AADORA1KDM4EALDH1A1HPGD
SCHEMBL2816637 0.81 ADORA2A (0.53) ADORA2AADORA1KDM4EALDH1A1HPGD
SCHEMBL2821226 0.80 KDM4E (0.42) ADORA2AADORA1KDM4EALDH1A1HPGD
SCHEMBL12430374 0.78 ADORA2A (0.43) ADORA2AADORA1KDM4EALDH1A1HPGD
SCHEMBL2819466 0.76 KDR (0.44)
SCHEMBL15500501 0.75 ADORA2A (0.41) ADORA2AADORA1KDM4EALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-7825114-B2 Substituted aminopyrazolopyridines and salts thereof, pharmaceutical compositions comprising same, methods of preparing same and uses of same BAYER SCHERING PHARMA AG (DE) 2010-11-02 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 ADORA2A 479/4885ADORA1 349/4885KDM4E 541/4885

“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.