SCHEMBL3596687

SCHEMBL3596687

CNc1cc(-n2nccc2Nc2cc(NC(=O)c3cc(N4CCN(C)[C@H](C)C4)cc(C(F)(F)F)c3)ccc2C)ncn1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BRAF P15056 7/20 0.49
LYN P07948 5/20 0.49
INSR P06213 4/20 0.49
LCK P06239 4/20 0.49
SRC P12931 4/20 0.49
KDR P35968 4/20 0.49
HCK P08631 3/20 0.49
CSF1R P07333 6/20 0.48
MAP3K7 O43318 1/20 0.47
MAP4K2 Q12851 1/20 0.47
RAF1 P04049 2/20 0.47
MAPK14 Q16539 2/20 0.43
KDM4E B2RXH2 1/20 0.43
POLB P06746 1/20 0.43
RECQL P46063 1/20 0.43

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
SCHEMBL3596689 1.00 BRAF (0.49) BRAFLYNINSRLCKSRC
SCHEMBL3582801 0.92 LYN (0.49) BRAFLYNINSRLCKSRC
SCHEMBL3582805 0.92 LYN (0.49) BRAFLYNINSRLCKSRC
SCHEMBL3587217 0.91 LYN (0.58) BRAFLYNINSRLCKSRC
SCHEMBL3590245 0.89 CSF1R (0.59) BRAFLYNINSRLCKSRC
SCHEMBL3592167 0.88 LYN (0.59) BRAFLYNINSRLCKSRC
SCHEMBL3581213 0.85 LYN (0.51) BRAFLYNINSRLCKSRC
SCHEMBL3590438 0.85 LYN (0.56) BRAFLYNINSRLCKSRC
SCHEMBL3582688 0.83 CSF1R (0.47) BRAFLYNINSRLCKSRC
SCHEMBL3597611 0.83 CSF1R (0.47) BRAFLYNINSRLCKSRC

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 11/4885LYN 12/4885INSR 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.