SCHEMBL2066496

SCHEMBL2066496

Cc1ccnc(Nc2ncc(Sc3ccnc(C(=O)NCC(c4ccccc4)N(C)C)c3F)s2)c1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 1/20 0.42
▸ OPRM1 P35372 8/20 0.41
▸ OPRD1 P41143 3/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ NTRK1 P04629 8/20 0.40
▸ OPRL1 P41146 1/20 0.38
▸ LCK P06239 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ GAA P10253 1/20 0.36

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
SCHEMBL10193829 1.00 KDR (0.42) KDROPRM1OPRD1KMT2ANTRK1
SCHEMBL2065656 0.92 KDR (0.45) KDRKMT2ANTRK1LCK
SCHEMBL2067918 0.88 NTRK1 (0.42) KDRNTRK1LCK
SCHEMBL2067768 0.88 NTRK1 (0.43) KDRNTRK1LCK
SCHEMBL10193864 0.87 NTRK1 (0.41) KDRNTRK1LCK
SCHEMBL2065982 0.87 KDR (0.40) KDRNTRK1LCK
Hydrochloric Acid SCHEMBL2067915 0.87 NTRK1 (0.41) KDRNTRK1LCK
SCHEMBL2065114 0.86 NTRK1 (0.40) KDRNTRK1LCK
SCHEMBL10193870 0.86 KDR (0.41) KDRNTRK1LCK
Hydrochloric Acid SCHEMBL2066362 0.85 KDR (0.41) KDRNTRK1LCK

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2099794-B1 THIAZOLYL COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2013-05-15 — — EP disclosed
US-8148400-B2 Thiazolyl compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-04-03 — — US disclosed
US-20100048581-A1 THIAZOLYL COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2010-02-25 — — US 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-20100048581-A1 THIAZOLYL COMPOUNDS USEFUL AS KINASE INHIBITORS ERBB2, TEC, TTBK1 KDR 672/4885OPRM1 4723/4885OPRD1 4735/4885

“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.

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