SCHEMBL9987809

SCHEMBL9987809

CSc1nccc(-c2sc(C3CC3)nc2-c2cccc(NS(C)(=O)=O)c2Cl)n1

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BRAF P15056 12/20 0.44
NR1I2 O75469 2/20 0.42
KCNH2 Q12809 1/20 0.41
LMNA P02545 1/20 0.39
GABRA1 P14867 1/20 0.38

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
SCHEMBL9986865 0.89 BRAF (0.46) BRAFNR1I2GABRA1
SCHEMBL14865995 0.88 BRAF (0.56) BRAFNR1I2
SCHEMBL9986641 0.88 BRAF (0.47) BRAFNR1I2KCNH2
SCHEMBL9987059 0.87 BRAF (0.54) BRAFKCNH2
SCHEMBL9987845 0.84 BRAF (0.55) BRAFNR1I2KCNH2GABRA1
SCHEMBL9986843 0.84 NR1I2 (0.40) BRAFNR1I2LMNAGABRA1
SCHEMBL9986869 0.82 LMNA (0.41) BRAFNR1I2KCNH2LMNAGABRA1
SCHEMBL9987285 0.79 BRAF (0.49) BRAFNR1I2
SCHEMBL14865885 0.79 BRAF (0.54) BRAFNR1I2
SCHEMBL9987017 0.79 BRAF (0.48) BRAFNR1I2

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
EP-2585454-A1 HETEROARYL COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS Novartis AG (CH) 2013-05-01 EP disclosed
US-20130096149-A1 HETEROARYL COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS NOVARTIS AG (CH) 2013-04-18 US disclosed
WO-2011161216-A1 HETEROARYL COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS NOVARTIS AG (CH) 2011-12-29 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-20130096149-A1 HETEROARYL COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS BRAF, RAF1, ARAF BRAF 1/4885NR1I2 693/4885KCNH2 2940/4885

“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.