SCHEMBL2930459

SCHEMBL2930459

N#Cc1cnccc1-c1cc(C#N)c(O)nc1-c1ccc(F)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RPS6KA3 P51812 3/20 0.43
GABRA1 P14867 2/20 0.40
GABRG2 P18507 2/20 0.40
GABRB3 P28472 2/20 0.40
GABRA5 P31644 2/20 0.40
GABRA3 P34903 2/20 0.40
GABRA2 P47869 1/20 0.40
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 3/20 0.39
HPGD P15428 2/20 0.39
GAA P10253 1/20 0.39
CLK4 Q9HAZ1 2/20 0.38
CLK1 P49759 1/20 0.38
CLK2 P49760 1/20 0.38
DYRK1A Q13627 1/20 0.38
DYRK1B Q9Y463 1/20 0.38
MAPK14 Q16539 3/20 0.38
SQOR Q9Y6N5 2/20 0.38

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
SCHEMBL2932221 0.86 RPS6KA3 (0.40) RPS6KA3GABRA1GABRG2GABRB3GABRA5
SCHEMBL2930455 0.85 SQOR (0.48) KDM4EALDH1A1HPGDCLK4MAPK14
SCHEMBL2931467 0.79 KDM4E (0.47) RPS6KA3KDM4EALDH1A1HPGDGAA
SCHEMBL6626450 0.79 RPS6KA3 (0.47) RPS6KA3CYP11B1CYP11B2KDM4EALDH1A1
SCHEMBL16616411 0.74 ALDH1A1 (0.44) CYP11B1CYP11B2KDM4EALDH1A1HPGD
SCHEMBL8098348 0.72 PTGS2 (0.52)
SCHEMBL2926388 0.72 MAPK14 (0.53) KDM4EALDH1A1GAAMAPK14MAPK13
SCHEMBL31133690 0.72 HTT (0.48) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL3841687 0.71 SQOR (0.47) KDM4EALDH1A1HPGDGAAMAPK14
SCHEMBL2932218 0.71 CNR1 (0.49) MAPK14SQORMAPK13ALOX5GCGR

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 8 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 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
EP-1611131-A1 PYRAZOLOPYRIDINE DERIVATES J. Uriach y Compagnia S.A. (ES) 2006-01-04 EP disclosed
WO-2004076450-A1 PYRAZOLOPYRIDINE DERIVATES J. Uriach Y Compañia S.A. (ES) 2004-09-10 WO 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 RPS6KA3 337/4885GABRA1 3916/4885GABRG2 3591/4885
US-20090286983-A1 Pyrazolopyridine Derivates MAPK1, MAPK4, MAP4K2 RPS6KA3 155/4885GABRA1 3537/4885GABRG2 3334/4885
US-20090005377-A1 Pyrazolopyridine Derivates MAPK1, MAPK4, MAP4K2 RPS6KA3 155/4885GABRA1 3537/4885GABRG2 3334/4885

“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.