SCHEMBL1386435

SCHEMBL1386435

CS(=O)(=O)c1nccc(-c2cc3cn(CCCO)nc3nc2-c2ccc(F)cc2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 10/20 0.40
CSNK1D P48730 2/20 0.39
CSNK1E P49674 1/20 0.39
PTGS1 P23219 3/20 0.39
MAPK14 Q16539 4/20 0.37
MAPK13 O15264 1/20 0.35
MAPK12 P53778 1/20 0.35
MAPK11 Q15759 1/20 0.35
KDM4E B2RXH2 1/20 0.34
MITF O75030 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
STAT3 P40763 1/20 0.34
STAT1 P42224 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
TLR9 Q9NR96 1/20 0.34
MAP4K4 O95819 1/20 0.34
MAPK9 P45984 1/20 0.34

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
SCHEMBL1385111 0.95 PTGS2 (0.42) PTGS2CSNK1DCSNK1EPTGS1MAPK14
SCHEMBL29652671 0.90 PTGS2 (0.38) PTGS2CSNK1DCSNK1EPTGS1MAPK14
SCHEMBL1384763 0.85 MAP4K4 (0.42) PTGS2CSNK1DCSNK1EPTGS1MAPK14
SCHEMBL1385020 0.85 KMO (0.36) PTGS2MAPK14MAPK13MAPK12MAPK11
SCHEMBL1385005 0.84 MAPK14 (0.44) CSNK1DCSNK1EMAPK14MAPK13MAPK12
SCHEMBL31213167 0.83 PTGS2 (0.42) PTGS2PTGS1MAPK14KDM4EMITF
SCHEMBL1386713 0.83 PTGS2 (0.38) PTGS2CSNK1DCSNK1EPTGS1MAPK14
SCHEMBL1385236 0.81 MAPK14 (0.43) CSNK1DCSNK1EMAPK14MAP4K4MAPK9
SCHEMBL29652653 0.81 MAPK14 (0.47) CSNK1DCSNK1EMAPK14MAP4K4MAPK9
SCHEMBL29894134 0.79 MAPK14 (0.50) CSNK1DCSNK1EMAPK14MAPK13MAPK12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8536194-B2 Pyrazolopyridine derivates PALAU PHARMA, S.A. (ES) 2013-09-17 US claimed
JP-4814783-B2 2011-11-16 JP claimed
EP-1611131-B1 PYRAZOLOPYRIDINE DERIVATES PALAU PHARMA SA (ES) 2010-09-15 EP claimed
US-20090005377-A1 Pyrazolopyridine Derivates PALAU PHARMA, S.A. (ES) 2009-01-01 US claimed
US-7468376-B2 Pyrazolopyridine derivates PALAU PHARMA, S.A. (ES) 2008-12-23 US claimed
US-20060167040-A1 Pyrazolopyridine derivates J. URIACH Y COMPANIA S.A. (ES) 2006-07-27 US claimed
EP-1611131-A1 PYRAZOLOPYRIDINE DERIVATES J. Uriach y Compagnia S.A. (ES) 2006-01-04 EP claimed
WO-2004076450-A1 PYRAZOLOPYRIDINE DERIVATES J. Uriach Y Compañia S.A. (ES) 2004-09-10 WO claimed
EP-1611131-B1 PYRAZOLOPYRIDINE DERIVATES PALAU PHARMA SA (ES) 2010-09-15 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 (2 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-20060167040-A1 Pyrazolopyridine derivates MAPK1, MAP4K2, MAP4K3 PTGS2 1065/4885CSNK1D 75/4885CSNK1E 235/4885
US-20090005377-A1 Pyrazolopyridine Derivates MAPK1, MAPK4, MAP4K2 PTGS2 1021/4885CSNK1D 60/4885CSNK1E 165/4885

“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.