SCHEMBL2640035

SCHEMBL2640035

CC(C)(C)n1cc(-c2ccnc(N)n2)c(-c2cnc3[nH]cc(Cl)c3c2)n1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 20/20 0.53
CCNA2 P20248 20/20 0.53
CDK2 P24941 20/20 0.53
CDK9 P50750 20/20 0.53
CCNA1 P78396 1/20 0.43
CDK5 Q00535 1/20 0.43
CDK5R1 Q15078 1/20 0.43

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
SCHEMBL2640001 0.90 CCNT1 (0.49) CCNT1CCNA2CDK2CDK9CCNA1
SCHEMBL2639350 0.90 CCNT1 (0.49) CCNT1CCNA2CDK2CDK9CCNA1
SCHEMBL2640115 0.86 CCNT1 (0.54) CCNT1CCNA2CDK2CDK9
SCHEMBL2639320 0.84 CCNT1 (0.54) CCNT1CCNA2CDK2CDK9CCNA1
SCHEMBL2639358 0.82 CCNT1 (0.50) CCNT1CCNA2CDK2CDK9
SCHEMBL2639792 0.81 CCNT1 (0.51) CCNT1CCNA2CDK2CDK9CCNA1
SCHEMBL2639967 0.80 CCNT1 (0.48) CCNT1CCNA2CDK2CDK9CCNA1
SCHEMBL2639639 0.79 CCNT1 (0.49) CCNT1CCNA2CDK2CDK9
SCHEMBL13939892 0.77 BRAF (0.38) CCNT1CCNA2CDK2CDK9CDK5
SCHEMBL2639804 0.76 BRAF (0.48) CCNT1CCNA2CDK2CDK9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4792126-B2 2011-10-12 JP claimed
EP-2183243-A2 PYRAZOLE COMPOUNDS AND THEIR USE AS RAF INHIBITORS Pfizer Inc. (US) 2010-05-12 EP claimed
US-20090221608-A1 PYRAZOLE COMPOUNDS PFIZER INC. 2009-09-03 US claimed
WO-2009016460-A2 PYRAZOLE COMPOUNDS AND THEIR USE AS RAF INHIBITORS PFIZER INC. (US) 2009-02-05 WO 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
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 CCNT1 1171/4885CCNA2 1821/4885CDK2 182/4885

“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.