SCHEMBL2965363

SCHEMBL2965363

CSc1nccc(-c2cn[nH]c2I)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.47
CCNA2 P20248 5/20 0.44
CDK2 P24941 5/20 0.44
CCNA1 P78396 5/20 0.44
CCNT1 O60563 1/20 0.44
CDK9 P50750 1/20 0.44
CDK5 Q00535 1/20 0.44
CDK5R1 Q15078 1/20 0.44
MAPK8 P45983 6/20 0.39
MAPK10 P53779 5/20 0.39
MAPK9 P45984 4/20 0.39
DYRK3 O43781 1/20 0.38
DYRK1A Q13627 1/20 0.38
DYRK2 Q92630 1/20 0.38
CDK1 P06493 4/20 0.36
CDK4 P11802 4/20 0.36
CCNB1 P14635 4/20 0.36
CCND1 P24385 4/20 0.36
KDM4E B2RXH2 2/20 0.36
L3MBTL1 Q9Y468 2/20 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
SCHEMBL2963770 0.82 LMNA (0.47) LMNACCNA2CDK2CCNA1CCNT1
SCHEMBL6132086 0.81 TGFBR1 (0.50) LMNACCNA2CDK2CCNA1CCNT1
SCHEMBL6069697 0.79 LMNA (0.40) LMNACCNA2CDK2CCNA1CCNT1
SCHEMBL6070097 0.74 TGFBR1 (0.60) CDK2CDK1KDM4EL3MBTL1MAPK1
SCHEMBL18438753 0.74 CCNA2 (0.41) LMNACCNA2CDK2CCNA1CCNT1
SCHEMBL24251294 0.73 LMNA (0.47) LMNACCNA2CDK2CCNA1CCNT1
SCHEMBL30931966 0.73 LMNA (0.47) LMNACCNA2CDK2CCNA1CCNT1
SCHEMBL8233834 0.73 CCNA2 (0.50) LMNACCNA2CDK2CCNA1CCNT1
SCHEMBL6070786 0.71 LMNA (0.44) LMNACCNA2CDK2CCNA1CCNT1
SCHEMBL16877199 0.71 LMNA (0.42) LMNACCNA2CDK2CCNA1CCNT1

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 9 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
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 LMNA 4718/4885CCNA2 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.