SCHEMBL3585282

SCHEMBL3585282

Cc1ccc(NC(=O)c2cccc(C(C)(C)C#N)c2)cc1Nc1cc(CN2CCOCC2)nn1-c1cc(NCCN2CCOCC2)ncn1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BRAF P15056 16/20 0.56
LCK P06239 3/20 0.52
INSR P06213 2/20 0.52
LYN P07948 2/20 0.52
HCK P08631 2/20 0.52
SRC P12931 2/20 0.52
KDR P35968 2/20 0.52
MAPK14 Q16539 2/20 0.48
RAF1 P04049 3/20 0.48
YES1 P07947 1/20 0.47

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
SCHEMBL3597708 0.93 LCK (0.51) BRAFLCKINSRLYNHCK
SCHEMBL3578851 0.93 BRAF (0.57) BRAFLCKINSRLYNHCK
SCHEMBL3591864 0.93 LCK (0.56) BRAFLCKINSRLYNHCK
SCHEMBL3634395 0.92 LCK (0.61) BRAFLCKINSRLYNHCK
SCHEMBL3587204 0.92 RAF1 (0.55) BRAFMAPK14RAF1
SCHEMBL3591172 0.92 LCK (0.52) BRAFLCKINSRLYNHCK
SCHEMBL3582918 0.91 BRAF (0.55) BRAFLCKINSRLYNHCK
SCHEMBL3586263 0.90 BRAF (0.55) BRAFMAPK14RAF1YES1
SCHEMBL3592719 0.89 MAPK14 (0.49) BRAFLCKINSRLYNHCK
SCHEMBL3593904 0.89 MAPK14 (0.51) BRAFLCKINSRLYNHCK

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 13 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-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
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 11/4885LCK 3/4885INSR 931/4885

“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.