SCHEMBL3577470

SCHEMBL3577470

CNC(=O)c1cc(Nc2cc(NC(=O)c3cccc(C(F)(F)F)c3)ccc2C)n(-c2cc(NN3CCN(C)CC3)ncn2)n1

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BRAF P15056 6/20 0.58
LCK P06239 14/20 0.55
LYN P07948 14/20 0.55
SRC P12931 14/20 0.55
KDR P35968 14/20 0.55
INSR P06213 13/20 0.55
HCK P08631 12/20 0.55
RAF1 P04049 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
SCHEMBL3593315 0.95 BRAF (0.53) BRAFLCKLYNSRCKDR
SCHEMBL3596814 0.94 BRAF (0.51) BRAFLCKLYNSRCKDR
SCHEMBL3584926 0.92 BRAF (0.60) BRAFLCKLYNSRCKDR
SCHEMBL3589394 0.91 BRAF (0.58) BRAFLCKLYNSRCKDR
SCHEMBL14218737 0.91 MAPK14 (0.47) BRAFLCKLYNSRCKDR
SCHEMBL3579892 0.90 LCK (0.54) BRAFLCKLYNSRCKDR
SCHEMBL3592896 0.89 BRAF (0.53) BRAFLCKLYNSRCKDR
SCHEMBL3587200 0.89 BRAF (0.49) BRAFLCKLYNSRCKDR
SCHEMBL3595246 0.88 BRAF (0.51) BRAFLCKLYNSRCKDR
SCHEMBL3594784 0.88 SRC (0.63) BRAFLCKLYNSRCKDR

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
CN-101522661-A Compounds and compositions as protein kinase inhibitors IRM LLC (VG) 2009-09-02 CN 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

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 3/4885LYN 12/4885

“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.