SCHEMBL6700562

SCHEMBL6700562

Cn1c(Nc2ccc(C(F)(F)F)cc2)nc2cc(Oc3ccnc(/C=N/O)c3)ccc21

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 19/20 0.67
RAF1 P04049 10/20 0.67
KDR P35968 3/20 0.61
STK25 O00506 1/20 0.61
CIT O14578 1/20 0.61
EPHB6 O15197 1/20 0.61
MAP3K7 O43318 1/20 0.61
RIPK2 O43353 1/20 0.61
PAK3 O75914 1/20 0.61
STK10 O94804 1/20 0.61
MAP4K4 O95819 1/20 0.61
ABL1 P00519 1/20 0.61
LCK P06239 1/20 0.61
FYN P06241 1/20 0.61
CSF1R P07333 1/20 0.61
YES1 P07947 1/20 0.61
LYN P07948 1/20 0.61
RET P07949 1/20 0.61
MET P08581 1/20 0.61
HCK P08631 1/20 0.61

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
SCHEMBL13559525 1.00 BRAF (0.67) BRAFRAF1KDRSTK25CIT
SCHEMBL6700567 1.00 BRAF (0.67) BRAFRAF1KDRSTK25CIT
SCHEMBL13559533 0.91 BRAF (0.67) BRAFRAF1KDRSTK25CIT
SCHEMBL6701000 0.91 BRAF (0.67) BRAFRAF1KDRSTK25CIT
SCHEMBL6700997 0.91 BRAF (0.67) BRAFRAF1KDRSTK25CIT
SCHEMBL6701429 0.90 BRAF (0.69) BRAFRAF1KDRSTK25CIT
SCHEMBL13559539 0.90 BRAF (0.69) BRAFRAF1KDRSTK25CIT
SCHEMBL6701432 0.90 BRAF (0.69) BRAFRAF1KDRSTK25CIT
SCHEMBL6696609 0.89 RAF1 (0.55) BRAFRAF1KDRSTK25CIT
SCHEMBL13559523 0.89 RAF1 (0.55) BRAFRAF1KDRSTK25CIT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120288501-A1 SUBSTITUTED BENZAZOLES AND METHODS OF THEIR USE AS INHIBITORS OF RAF KINASE NOVARTIS VACCINES AND DIAGNOSTICS, INC. FORMERLY KNOWN AS CHIRON CORPORATION (US) 2012-11-15 US disclosed
US-8299108-B2 for treatment of hematological/hormone-dependent cancer NOVARTIS AG (CH) 2012-10-30 US disclosed
US-20040122237-A1 Substituted benzazoles and methods of their use as inhibitors of Raf kinase NOVARTIS AG (CH) 2004-06-24 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 (2 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-20040122237-A1 Substituted benzazoles and methods of their use as inhibitors of Raf kinase BRAF, RAF1, ARAF BRAF 1/4885RAF1 2/4885KDR 1078/4885
US-20120288501-A1 SUBSTITUTED BENZAZOLES AND METHODS OF THEIR USE AS INHIBITORS OF RAF KINASE BRAF, RAF1, ARAF BRAF 1/4885RAF1 2/4885KDR 1078/4885

“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.