SCHEMBL2639947

SCHEMBL2639947

Cc1n[nH]c2ncc(-c3nn(CC(F)F)cc3-c3ccnc(NC4CCOC4)n3)cc12

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ACVR1 Q04771 5/20 0.41
▸ MKNK1 Q9BUB5 1/20 0.41
▸ MAPK1 P28482 10/20 0.40
▸ CDK2 P24941 6/20 0.40
▸ CCNA2 P20248 5/20 0.40
▸ MAPK3 P27361 4/20 0.40
▸ CCNT1 O60563 1/20 0.38
▸ CCNC P24863 1/20 0.38
▸ CDK8 P49336 1/20 0.38
▸ CDK7 P50613 1/20 0.38
▸ CDK9 P50750 1/20 0.38
▸ CCNH P51946 1/20 0.38
▸ MNAT1 P51948 1/20 0.38
▸ RET P07949 1/20 0.37
▸ MAPK8 P45983 1/20 0.36
▸ MAPK9 P45984 1/20 0.36
▸ MAPK10 P53779 1/20 0.36
▸ PIK3C3 Q8NEB9 1/20 0.36

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
SCHEMBL2639623 0.84 ACVR1 (0.44) ACVR1
SCHEMBL2639638 0.80 BRAF (0.43) ACVR1
SCHEMBL16105365 0.71 CSNK1D (0.44) ACVR1MAPK1CDK2CCNA2MAPK3
SCHEMBL2959803 0.70 ACVR1 (0.44) ACVR1CDK2CCNA2CCNT1CDK7
SCHEMBL2639759 0.70 BRAF (0.64) MAPK8MAPK9
SCHEMBL2640234 0.69 ACVR1 (0.42) ACVR1CDK2CCNA2CCNT1CDK9
SCHEMBL2639594 0.69 BRAF (0.51) ACVR1CDK2CCNA2CCNT1CDK9
SCHEMBL14414178 0.69 JAK2 (0.44) ACVR1MKNK1MAPK1CDK2CCNA2
SCHEMBL3919532 0.69 JAK2 (0.44) ACVR1MKNK1MAPK1CDK2CCNA2
SCHEMBL2639982 0.68 BRAF (0.51) ACVR1CDK2CCNA2CCNT1CDK9

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 ACVR1 4191/4885MKNK1 366/4885MAPK1 150/4885

“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.

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