SCHEMBL2932911

SCHEMBL2932911

CS(=O)(=O)c1nccc(-c2cc3c(NC(=O)OCc4ccccc4)n[nH]c3nc2-c2cccc(C(F)(F)F)c2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.41
CYP3A4 P08684 1/20 0.41
BRAF P15056 1/20 0.41
JAK3 P52333 1/20 0.41
MAPK10 P53779 1/20 0.41
KCNH2 Q12809 1/20 0.41
ERBB4 Q15303 1/20 0.41
MGLL Q99685 1/20 0.40
MAPK14 Q16539 5/20 0.38
GSK3A P49840 2/20 0.37
GSK3B P49841 2/20 0.37
CDK2 P24941 1/20 0.37
MAPK1 P28482 1/20 0.37
MAPT P10636 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
MAPK13 O15264 3/20 0.35
MAPK12 P53778 3/20 0.35
MAPK11 Q15759 3/20 0.35

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
SCHEMBL2932651 0.88 MAPK14 (0.40) MGLLMAPK14GSK3AGSK3BCDK2
SCHEMBL2924940 0.85 GSK3A (0.41) MGLLMAPK14GSK3AGSK3BCDK2
SCHEMBL2932325 0.84 VCP (0.47) MGLLMAPK14GSK3AGSK3BCDK2
SCHEMBL1384726 0.74 TGFBR1 (0.41) CYP3A4MAPK14CDK2MAPK1MAPK13
SCHEMBL1385324 0.73 TOP2A (0.43) MAPK14GSK3AGSK3BCDK2HDAC1
SCHEMBL7556151 0.73 MAPK13 (0.47) EGFRCYP3A4BRAFJAK3MAPK10
SCHEMBL2932352 0.72 GSK3B (0.40) JAK3KCNH2MAPK14GSK3AGSK3B
SCHEMBL7001627 0.72 MAPK13 (0.50) EGFRCYP3A4BRAFJAK3MAPK10
SCHEMBL6170828 0.69 MAPK13 (0.49) EGFRCYP3A4BRAFJAK3MAPK10
SCHEMBL7670671 0.69 TRPC3 (0.43) EGFRCYP3A4BRAFJAK3MAPK10

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 6 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

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 EGFR 3479/4885CYP3A4 502/4885BRAF 41/4885
US-20090286983-A1 Pyrazolopyridine Derivates MAPK1, MAPK4, MAP4K2 EGFR 3439/4885CYP3A4 1093/4885BRAF 43/4885
US-20090005377-A1 Pyrazolopyridine Derivates MAPK1, MAPK4, MAP4K2 EGFR 3439/4885CYP3A4 1093/4885BRAF 43/4885

“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.