SCHEMBL2931650

SCHEMBL2931650

O=C(Cn1cc2c(-c3ccc(F)cc3)c(-c3ccncc3)c(-c3ccc(F)cc3)nc2n1)N1CCOCC1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CCNC P24863 1/20 0.44
CDK8 P49336 1/20 0.44
MAPK14 Q16539 3/20 0.44
GRIN2B Q13224 6/20 0.42
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
AURKA O14965 1/20 0.41
AURKB Q96GD4 1/20 0.41
TSHR P16473 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MAPK13 O15264 1/20 0.41
MAPK12 P53778 1/20 0.41
MAPK11 Q15759 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
RIPK3 Q9Y572 1/20 0.41
CSNK1D P48730 1/20 0.40
CSNK1E P49674 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
SCHEMBL1386431 0.91 MAPK14 (0.46) MAPK14ALDH1A1MEN1RAB9AKMT2A
SCHEMBL2929529 0.84 MAPK14 (0.52) MAPK14ALDH1A1MAPK13MAPK12MAPK11
SCHEMBL1385820 0.84 MAPK14 (0.48) MAPK14MAPK13MAPK12MAPK11CSNK1D
SCHEMBL2925240 0.82 MAPK14 (0.41) CCNCCDK8MAPK14MAPK13MAPK12
SCHEMBL1386983 0.82 MAPK14 (0.54) MAPK14MAPK13MAPK12MAPK11
SCHEMBL2929678 0.80 GRIN2B (0.42) CCNCCDK8MAPK14GRIN2BALDH1A1
SCHEMBL1386186 0.80 MAPK14 (0.55) MAPK14ALDH1A1MEN1KMT2ACSNK1D
SCHEMBL2926483 0.79 MAPK14 (0.48) MAPK14MAPK13MAPK12MAPK11CSNK1D
SCHEMBL1386122 0.79 MAPK14 (0.48) MAPK14ALDH1A1MAPK13MAPK12MAPK11
SCHEMBL1385074 0.78 MAPK14 (0.46) MAPK14MAPK13MAPK12MAPK11CSNK1D

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 11 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
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
US-8536194-B2 Pyrazolopyridine derivates PALAU PHARMA, S.A. (ES) 2013-09-17 US disclosed
EP-1611131-B1 PYRAZOLOPYRIDINE DERIVATES PALAU PHARMA SA (ES) 2010-09-15 EP disclosed
US-20090286983-A1 Pyrazolopyridine Derivates PALAU PHARMA, S.A. (ES) 2009-11-19 US disclosed
US-20090005377-A1 Pyrazolopyridine Derivates PALAU PHARMA, S.A. (ES) 2009-01-01 US disclosed
US-7468376-B2 Pyrazolopyridine derivates PALAU PHARMA, S.A. (ES) 2008-12-23 US disclosed
US-20060167040-A1 Pyrazolopyridine derivates J. URIACH Y COMPANIA S.A. (ES) 2006-07-27 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 (3 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 CCNC 1067/4885CDK8 171/4885MAPK14 34/4885
US-20090286983-A1 Pyrazolopyridine Derivates MAPK1, MAPK4, MAP4K2 CCNC 1284/4885CDK8 327/4885MAPK14 33/4885
US-20090005377-A1 Pyrazolopyridine Derivates MAPK1, MAPK4, MAP4K2 CCNC 1284/4885CDK8 327/4885MAPK14 33/4885

“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.