SCHEMBL3596745

SCHEMBL3596745

COC(C)(C)c1cncc(NC(=O)c2ccc(C)c(Nc3cc(C)nn3-c3cc(NN4CCN(C)CC4)ncn3)c2)c1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BRAF P15056 15/20 0.42
INSR P06213 3/20 0.40
LCK P06239 3/20 0.40
LYN P07948 3/20 0.40
SRC P12931 3/20 0.40
KDR P35968 3/20 0.40
HCK P08631 2/20 0.40
MAPK14 Q16539 1/20 0.40
ABL1 P00519 1/20 0.39

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
SCHEMBL3594552 0.93 BRAF (0.47) BRAFINSRLCKLYNSRC
SCHEMBL3590962 0.92 MAPK14 (0.43) BRAFINSRLCKLYNSRC
SCHEMBL3590088 0.92 BRAF (0.44) BRAFINSRLCKLYNSRC
SCHEMBL3583138 0.89 EPHB2 (0.41) BRAFINSRLCKLYNSRC
SCHEMBL3579173 0.88 BRAF (0.45) BRAFINSRLCKLYNSRC
SCHEMBL3588296 0.87 MAPK14 (0.45) BRAFINSRLCKLYNSRC
SCHEMBL3592901 0.87 BRAF (0.50) BRAFINSRLCKLYNSRC
SCHEMBL3643748 0.85 BRAF (0.55) BRAFINSRLCKLYNSRC
SCHEMBL4042078 0.85 BRAF (0.40) BRAFINSRLCKLYNSRC
SCHEMBL3586984 0.85 MAPK14 (0.45) BRAFINSRLCKLYNSRC

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 7 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
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
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 11/4885INSR 931/4885LCK 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.