SCHEMBL3585353

SCHEMBL3585353

CCN(C(=O)c1cc(Nc2cc(NC(=O)c3ccc(OC(F)(F)F)nc3)ccc2C)n(-c2cc(NCCN3CCOCC3)ncn2)n1)N1CCOCC1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BRAF P15056 5/20 0.45
MAPK14 Q16539 5/20 0.44
LCK P06239 7/20 0.42
KDR P35968 6/20 0.42
LYN P07948 5/20 0.42
SRC P12931 5/20 0.42
INSR P06213 4/20 0.42
HCK P08631 4/20 0.42
ABL1 P00519 1/20 0.41
BCR P11274 1/20 0.41
RAF1 P04049 2/20 0.39
ARAF P10398 2/20 0.39
WNT3A P56704 2/20 0.39
MCHR1 Q99705 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
SCHEMBL3589212 0.92 BRAF (0.41) BRAFMAPK14HCKRAF1ARAF
SCHEMBL3585352 0.90 BRAF (0.48) BRAFMAPK14LCKKDRLYN
SCHEMBL3581118 0.87 BRAF (0.48) BRAFMAPK14LCKKDRLYN
SCHEMBL3589211 0.86 BRAF (0.47) BRAFMAPK14LCKKDRLYN
SCHEMBL3590035 0.85 MAPK14 (0.51) BRAFMAPK14LCKKDRLYN
SCHEMBL3642795 0.85 MAPK14 (0.44) BRAFMAPK14LCKKDRLYN
SCHEMBL14218742 0.84 MAPK14 (0.48) BRAFMAPK14LCKKDRLYN
SCHEMBL13503128 0.81 MAPK14 (0.42) BRAFMAPK14ABL1BCRRAF1
SCHEMBL14218730 0.81 MAPK14 (0.48) BRAFMAPK14LCKKDRLYN
SCHEMBL3579814 0.80 ABL1 (0.53) BRAFMAPK14LCKKDRLYN

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-8202876-B2 Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2012-06-19 US 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 11/4885MAPK14 337/4885LCK 3/4885

“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.