SCHEMBL13504232

SCHEMBL13504232

CC(C)c1cc(Nc2nc3cc(Oc4ccnc(C(=O)NCCCN5CCN(C)CC5)c4)ccc3n2C)ccc1OC(F)(F)F

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDR P35968 2/20 0.55
BRAF P15056 17/20 0.55
RAF1 P04049 14/20 0.55
LCK P06239 1/20 0.47
FYN P06241 1/20 0.47
PDGFRB P09619 1/20 0.47
KIT P10721 1/20 0.47
FLT1 P17948 1/20 0.47
FLT4 P35916 1/20 0.47
MET P08581 1/20 0.46

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
SCHEMBL13504341 0.96 KDR (0.57) KDRBRAFRAF1LCKFYN
SCHEMBL13504275 0.91 BRAF (0.57) KDRBRAFRAF1LCKFYN
SCHEMBL13504194 0.90 KDR (0.59) KDRBRAFRAF1LCKFYN
SCHEMBL13504199 0.90 BRAF (0.68) KDRBRAFRAF1LCKFYN
SCHEMBL13504521 0.89 KDR (0.59) KDRBRAFRAF1LCKFYN
SCHEMBL13504500 0.89 BRAF (0.53) KDRBRAFRAF1LCKFYN
SCHEMBL13559573 0.89 KDR (0.60) KDRBRAFRAF1LCKFYN
SCHEMBL13504205 0.89 BRAF (0.59) KDRBRAFRAF1LCKFYN
SCHEMBL13504309 0.89 BRAF (0.59) KDRBRAFRAF1LCKFYN
SCHEMBL13504380 0.87 BRAF (0.55) KDRBRAFRAF1LCKFYN

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 5 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-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-8299108-B2 for treatment of hematological/hormone-dependent cancer NOVARTIS AG (CH) 2012-10-30 US disclosed
US-8299108-B2 for treatment of hematological/hormone-dependent cancer NOVARTIS AG (CH) 2012-10-30 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-20120288501-A1 SUBSTITUTED BENZAZOLES AND METHODS OF THEIR USE AS INHIBITORS OF RAF KINASE BRAF, RAF1, ARAF KDR 1078/4885BRAF 1/4885RAF1 2/4885

“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.