SCHEMBL2966602

SCHEMBL2966602

CS(=O)(=O)c1nccc(-c2cn(C3CCOC3)nc2-c2cnc3c(ccn3S(=O)(=O)c3ccccc3)c2)n1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACVR1 Q04771 4/20 0.38
BRD4 O60885 9/20 0.37
TGFBR1 P36897 4/20 0.36
KDR P35968 2/20 0.36
MAPK14 Q16539 2/20 0.36
RIPK2 O43353 1/20 0.36
CYP2C19 P33261 1/20 0.35
JAK2 O60674 2/20 0.33
JAK1 P23458 2/20 0.33
TYK2 P29597 2/20 0.33
JAK3 P52333 2/20 0.33

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
SCHEMBL2965356 0.90 ACVR1 (0.38) ACVR1BRD4TGFBR1KDRMAPK14
SCHEMBL2962772 0.86 BRAF (0.42) ACVR1BRD4
SCHEMBL20573409 0.78 CYP2C19 (0.38) ACVR1TGFBR1CYP2C19JAK3
SCHEMBL13199869 0.78 CYP2C19 (0.38) CYP2C19JAK3
SCHEMBL2968816 0.76 BRAF (0.37) BRD4TGFBR1KDRMAPK14RIPK2
SCHEMBL20573357 0.71 CYP2C19 (0.30) CYP2C19
SCHEMBL2955874 0.68 ACVR1 (0.41) ACVR1KDRMAPK14JAK2JAK1
SCHEMBL13199868 0.68 CYP2C19 (0.38) TGFBR1MAPK14CYP2C19
SCHEMBL2960526 0.66 CYP2C19 (0.43) MAPK14CYP2C19
SCHEMBL2963637 0.65 BRAF (0.45) ACVR1CYP2C19

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 569/4885TGFBR1 3879/4885

“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.