SCHEMBL2965356

SCHEMBL2965356

CSc1nccc(-c2cn(C3CCOC3)nc2-c2cnc3c(ccn3S(=O)(=O)c3ccccc3)c2)n1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACVR1 Q04771 4/20 0.38
BRD4 O60885 6/20 0.37
CYP2C19 P33261 1/20 0.35
TGFBR1 P36897 3/20 0.34
KDR P35968 2/20 0.34
MAPK14 Q16539 2/20 0.34
RIPK2 O43353 1/20 0.33
ATR Q13535 1/20 0.32
ATRIP Q8WXE1 1/20 0.32
JAK2 O60674 2/20 0.32
JAK1 P23458 2/20 0.32
TYK2 P29597 2/20 0.32
JAK3 P52333 2/20 0.32
CSNK1E P49674 1/20 0.31
MMP8 P22894 2/20 0.31
MMP3 P08254 1/20 0.31

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
SCHEMBL2966602 0.90 ACVR1 (0.38) ACVR1BRD4CYP2C19TGFBR1KDR
SCHEMBL2968816 0.86 BRAF (0.37) BRD4CYP2C19TGFBR1KDRMAPK14
SCHEMBL2962772 0.84 BRAF (0.42) ACVR1BRD4
SCHEMBL13199868 0.78 CYP2C19 (0.38) CYP2C19TGFBR1MAPK14CSNK1E
SCHEMBL2955874 0.78 ACVR1 (0.41) ACVR1KDRMAPK14ATRJAK2
SCHEMBL2960526 0.77 CYP2C19 (0.43) CYP2C19MAPK14CSNK1EMMP8MMP3
SCHEMBL2959107 0.75 CYP2C19 (0.43) CYP2C19MAPK14CSNK1EMMP8MMP3
SCHEMBL20573886 0.71 CYP2C19 (0.30) CYP2C19
SCHEMBL20573409 0.68 CYP2C19 (0.38) ACVR1CYP2C19TGFBR1JAK3
SCHEMBL13199869 0.68 CYP2C19 (0.38) CYP2C19JAK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7772246-B2 Pyrazole compounds as RAF inhibitors PFIZER INC. (US) 2010-08-10 US disclosed
US-7772246-B2 Pyrazole compounds as RAF inhibitors PFIZER INC. (US) 2010-08-10 US disclosed
US-7772246-B2 Pyrazole compounds as RAF inhibitors PFIZER INC. (US) 2010-08-10 US disclosed
US-20090221608-A1 PYRAZOLE COMPOUNDS PFIZER INC. 2009-09-03 US disclosed
US-20090221608-A1 PYRAZOLE COMPOUNDS PFIZER INC. 2009-09-03 US disclosed
US-20090221608-A1 PYRAZOLE COMPOUNDS PFIZER INC. 2009-09-03 US disclosed
WO-2009016460-A2 PYRAZOLE COMPOUNDS AND THEIR USE AS RAF INHIBITORS PFIZER INC. (US) 2009-02-05 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 (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-20090221608-A1 PYRAZOLE COMPOUNDS BRAF, RAF1, NRAS ACVR1 4191/4885BRD4 569/4885CYP2C19 45/4885

“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.