SCHEMBL2965402

SCHEMBL2965402

Cc1cc(-c2nn(C(C)C)cc2-c2ccnc(NC[C@H](C)O)n2)cnc1N

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 20/20 0.79
PGRMC1 O00264 1/20 0.41
RIPK2 O43353 1/20 0.41
NR1I2 O75469 1/20 0.41
CDK4 P11802 1/20 0.41
CHRM3 P20309 1/20 0.41
CCKBR P32239 1/20 0.41
OPRK1 P41145 1/20 0.41
HTR2B P41595 1/20 0.41
MAPK8 P45983 1/20 0.41
MAPK9 P45984 1/20 0.41
CSNK1A1 P48729 1/20 0.41
MAPKAPK2 P49137 1/20 0.41
PCYT1A P49585 1/20 0.41
GSK3A P49840 1/20 0.41
GSK3B P49841 1/20 0.41
IRAK1 P51617 1/20 0.41
LIMK1 P53667 1/20 0.41
LIMK2 P53671 1/20 0.41
PDE4D Q08499 1/20 0.41

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
SCHEMBL2963257 0.91 BRAF (0.79) BRAFPGRMC1RIPK2NR1I2CDK4
SCHEMBL2639990 0.88 BRAF (1.00) BRAFPGRMC1RIPK2NR1I2CDK4
SCHEMBL2640011 0.88 BRAF (0.67) BRAFPGRMC1RIPK2NR1I2CDK4
SCHEMBL2640159 0.88 BRAF (0.62) BRAF
SCHEMBL2641721 0.88 BRAF (0.74) BRAFPGRMC1RIPK2NR1I2CDK4
SCHEMBL2639940 0.86 BRAF (0.83) BRAFPGRMC1RIPK2NR1I2CDK4
SCHEMBL2639832 0.84 BRAF (0.64) BRAFPGRMC1RIPK2NR1I2CDK4
SCHEMBL2640032 0.84 BRAF (0.66) BRAFPGRMC1RIPK2NR1I2CDK4
SCHEMBL2639454 0.83 BRAF (0.68) BRAFPGRMC1RIPK2NR1I2CDK4
SCHEMBL13940840 0.83 BRAF (0.65) 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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101815712-A Pyrazole compound and as the purposes of RAF inhibitor PFIZER 2010-08-25 CN 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-7772246-B2 Pyrazole compounds as RAF inhibitors PFIZER INC. (US) 2010-08-10 US disclosed
EP-2183243-A2 PYRAZOLE COMPOUNDS AND THEIR USE AS RAF INHIBITORS Pfizer Inc. (US) 2010-05-12 EP 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
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 1/4885PGRMC1 3177/4885RIPK2 856/4885

“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.