SCHEMBL13216601

SCHEMBL13216601

C#CCCNc1nccc(-c2cn(CC(F)F)nc2I)n1

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ACVR1 Q04771 2/20 0.38
BRAF P15056 3/20 0.37
DYRK1B Q9Y463 4/20 0.34
MAP3K14 Q99558 7/20 0.34
MKNK1 Q9BUB5 3/20 0.31
EIF2AK2 P19525 1/20 0.31

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
SCHEMBL2953944 0.90 BRAF (0.46) ACVR1BRAFDYRK1BMAP3K14
SCHEMBL13939830 0.86 DYRK1B (0.41) ACVR1BRAFDYRK1BMAP3K14MKNK1
SCHEMBL2959526 0.81 BRAF (0.45) ACVR1BRAFDYRK1BMAP3K14
SCHEMBL2962021 0.72 LMNA (0.40) ACVR1DYRK1B
SCHEMBL2640156 0.71 ACVR1 (0.47) ACVR1BRAFMAP3K14
SCHEMBL2959275 0.70 DYRK1A (0.36) ACVR1BRAFDYRK1B
SCHEMBL8228196 0.70 BRAF (0.57) BRAF
SCHEMBL13200107 0.69 BRAF (0.44) ACVR1BRAFMAP3K14
SCHEMBL2961902 0.68 BRAF (0.46) ACVR1BRAFMAP3K14
SCHEMBL2639988 0.68 BRAF (0.44) ACVR1BRAFMAP3K14

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 2 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-20090221608-A1 PYRAZOLE COMPOUNDS PFIZER INC. 2009-09-03 US 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 4191/4885BRAF 1/4885DYRK1B 1422/4885

“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.