SCHEMBL3584308

SCHEMBL3584308

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

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BRAF P15056 9/20 0.45
RAF1 P04049 7/20 0.45
KDR P35968 9/20 0.43
LCK P06239 7/20 0.43
LYN P07948 7/20 0.43
SRC P12931 7/20 0.43
INSR P06213 6/20 0.43
HCK P08631 6/20 0.43
MAPK14 Q16539 3/20 0.42
TNNI3K Q59H18 1/20 0.42
TEK Q02763 1/20 0.42

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
SCHEMBL3593754 0.91 KDR (0.44) BRAFRAF1KDRLCKLYN
SCHEMBL9967418 0.89 LCK (0.51) BRAFKDRLCKLYNSRC
SCHEMBL3577332 0.87 LCK (0.56) BRAFKDRLCKLYNSRC
SCHEMBL3594090 0.86 LCK (0.50) BRAFKDRLCKLYNSRC
SCHEMBL3594891 0.85 LCK (0.47) BRAFRAF1KDRLCKLYN
SCHEMBL3584140 0.84 LCK (0.43) BRAFKDRLCKLYNSRC
SCHEMBL3595159 0.83 BRAF (0.59) BRAFRAF1
SCHEMBL3593212 0.83 LCK (0.48) BRAFRAF1KDRLCKLYN
SCHEMBL3593435 0.82 POLB (0.59) BRAFKDRLCKLYNSRC
SCHEMBL3583992 0.82 BRAF (0.46) BRAFRAF1KDRLCKLYN

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 11 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-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
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
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 11/4885RAF1 10/4885KDR 13/4885

“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.