SCHEMBL2065662

SCHEMBL2065662

O=C(NCC(O)(c1ccccc1)c1ccccc1)c1nccc(Sc2cnc(Nc3ccccn3)s2)c1F

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 13/20 0.44
▸ KDR P35968 3/20 0.41
▸ JAK3 P52333 2/20 0.40
▸ BTK Q06187 2/20 0.40
▸ ITK Q08881 2/20 0.39
▸ TXK P42681 1/20 0.39
▸ CCNB2 O95067 1/20 0.38
▸ CCNE2 O96020 1/20 0.38
▸ CDK1 P06493 1/20 0.38
▸ CDK4 P11802 1/20 0.38
▸ CCNB1 P14635 1/20 0.38
▸ CCND1 P24385 1/20 0.38
▸ CCNE1 P24864 1/20 0.38
▸ CDK2 P24941 1/20 0.38
▸ CCND2 P30279 1/20 0.38
▸ CCND3 P30281 1/20 0.38
▸ CCNB3 Q8WWL7 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
SCHEMBL2065782 0.91 NTRK1 (0.47) NTRK1KDRJAK3BTKITK
SCHEMBL2067762 0.91 NTRK1 (0.47) NTRK1KDRJAK3BTKITK
SCHEMBL2065418 0.90 KDR (0.41) NTRK1KDRJAK3BTKTXK
SCHEMBL2065601 0.90 NTRK1 (0.45) NTRK1KDRJAK3BTKITK
SCHEMBL2066340 0.90 NTRK1 (0.38) NTRK1KDRJAK3BTKITK
SCHEMBL2065968 0.89 NTRK1 (0.44) NTRK1KDRJAK3BTKITK
SCHEMBL2066843 0.89 NTRK1 (0.43) NTRK1KDRJAK3BTKITK
SCHEMBL2066204 0.89 NTRK1 (0.43) NTRK1KDRJAK3BTKITK
SCHEMBL2066201 0.89 NTRK1 (0.43) NTRK1KDRJAK3BTKITK
SCHEMBL2066492 0.87 NTRK1 (0.43) NTRK1KDRJAK3BTKITK

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 9 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
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-8148400-B2 Thiazolyl compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-04-03 — — US 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
US-20100048581-A1 THIAZOLYL COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2010-02-25 — — US disclosed
US-20100048581-A1 THIAZOLYL COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2010-02-25 — — US disclosed
WO-2008079873-A2 THIAZOLYL COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-07-03 — — 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-20100048581-A1 THIAZOLYL COMPOUNDS USEFUL AS KINASE INHIBITORS ERBB2, TEC, TTBK1 NTRK1 327/4885KDR 672/4885JAK3 60/4885

“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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