SCHEMBL2958294

SCHEMBL2958294

C[C@H](O)CNc1nccc(-c2cn([C@H]3C[C@H](F)C3)nc2-c2cnc3[nH]cc(Cl)c3c2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRAF P15056 11/20 0.47
▸ MAP3K12 Q12852 3/20 0.36
▸ CCNT1 O60563 2/20 0.34
▸ CCNA2 P20248 2/20 0.34
▸ CDK2 P24941 2/20 0.34
▸ CDK9 P50750 2/20 0.34
▸ MAPK10 P53779 2/20 0.34
▸ ACVR1 Q04771 1/20 0.34
▸ PGRMC1 O00264 1/20 0.33
▸ RIPK2 O43353 1/20 0.33
▸ NR1I2 O75469 1/20 0.33
▸ CDK4 P11802 1/20 0.33
▸ CHRM3 P20309 1/20 0.33
▸ CCKBR P32239 1/20 0.33
▸ OPRK1 P41145 1/20 0.33
▸ HTR2B P41595 1/20 0.33
▸ MAPK8 P45983 1/20 0.33
▸ MAPK9 P45984 1/20 0.33
▸ CSNK1A1 P48729 1/20 0.33
▸ MAPKAPK2 P49137 1/20 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
SCHEMBL13200253 1.00 BRAF (0.47) BRAFMAP3K12CCNT1CCNA2CDK2
SCHEMBL2639385 1.00 BRAF (0.47) BRAFMAP3K12CCNT1CCNA2CDK2
SCHEMBL2958297 1.00 BRAF (0.47) BRAFMAP3K12CCNT1CCNA2CDK2
SCHEMBL2640003 0.91 BRAF (0.47) BRAFMAP3K12CCNT1CCNA2CDK2
SCHEMBL2639706 0.90 BRAF (0.48) BRAFMAP3K12CCNT1CCNA2CDK2
SCHEMBL2639866 0.89 BRAF (0.47) BRAFMAP3K12CCNA2CDK2ACVR1
SCHEMBL2639978 0.89 BRAF (0.47) BRAFMAP3K12CCNA2CDK2ACVR1
SCHEMBL2639907 0.88 BRAF (0.46) BRAFMAP3K12ACVR1
SCHEMBL2639645 0.86 BRAF (0.53) BRAFCCNT1CCNA2CDK2CDK9
SCHEMBL2640008 0.85 BRAF (0.63) BRAFPGRMC1RIPK2NR1I2CDK4

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-20090221608-A1 PYRAZOLE COMPOUNDS PFIZER INC. 2009-09-03 — — US claimed
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 BRAF 1/4885MAP3K12 70/4885CCNT1 1171/4885

“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.

Send feedback