SCHEMBL3593024

SCHEMBL3593024

CNc1cc(-n2nc(C(=O)O)cc2Nc2cc(NC(=O)c3cccc(C(C)(C)C#N)c3)ccc2C)ncn1

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BRAF P15056 20/20 0.56
CYP2C9 P11712 2/20 0.56
RAF1 P04049 1/20 0.53
YES1 P07947 1/20 0.53

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
SCHEMBL3585821 0.94 BRAF (0.56) BRAFCYP2C9RAF1YES1
SCHEMBL3595159 0.92 BRAF (0.59) BRAFCYP2C9RAF1YES1
SCHEMBL3591732 0.91 LCK (0.49) BRAFCYP2C9
SCHEMBL3585807 0.90 LCK (0.55) BRAF
SCHEMBL3590819 0.88 BRAF (0.58) BRAFCYP2C9RAF1YES1
SCHEMBL3578376 0.86 BRAF (0.53) BRAFCYP2C9RAF1YES1
SCHEMBL3021009 0.86 BRAF (0.59) BRAFCYP2C9RAF1YES1
SCHEMBL9967517 0.85 BRAF (0.55) BRAFCYP2C9RAF1YES1
SCHEMBL3580416 0.85 LCK (0.48) BRAFCYP2C9
SCHEMBL3589394 0.85 BRAF (0.58) BRAFRAF1YES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8202876-B2 Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2012-06-19 US claimed
US-20100029605-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2010-02-04 US claimed
EP-2057146-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2009-05-13 EP claimed
WO-2008042639-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2008-04-10 WO claimed
US-8202876-B2 Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2012-06-19 US disclosed
US-20100029605-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2010-02-04 US disclosed
EP-2057146-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2009-05-13 EP disclosed
WO-2008042639-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2008-04-10 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-20100029605-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS FYN, ABL2, LCK BRAF 11/4885CYP2C9 4420/4885RAF1 10/4885

“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.