SCHEMBL2066045

SCHEMBL2066045

COCOCc1ccc(C(CNC(=O)c2nccc(Sc3cnc(Nc4cc(C)ccn4)s3)c2F)c2ccccc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 3/20 0.37
▸ NTRK1 P04629 10/20 0.37
▸ JAK3 P52333 4/20 0.33
▸ LCK P06239 1/20 0.33
▸ ITK Q08881 1/20 0.33
▸ BTK Q06187 3/20 0.32
▸ TXK P42681 1/20 0.31

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
SCHEMBL2065908 0.95 KDR (0.38) KDRNTRK1JAK3LCKBTK
SCHEMBL2066327 0.91 NTRK1 (0.36) KDRNTRK1JAK3LCKBTK
SCHEMBL2065656 0.90 KDR (0.45) KDRNTRK1JAK3LCKBTK
SCHEMBL10193864 0.90 NTRK1 (0.41) KDRNTRK1JAK3LCKBTK
Hydrochloric Acid SCHEMBL2067915 0.89 NTRK1 (0.41) KDRNTRK1JAK3LCKBTK
SCHEMBL10193870 0.86 KDR (0.41) KDRNTRK1JAK3LCKITK
Hydrochloric Acid SCHEMBL2066362 0.85 KDR (0.41) KDRNTRK1JAK3LCKITK
SCHEMBL2067768 0.85 NTRK1 (0.43) KDRNTRK1JAK3LCKBTK
SCHEMBL2067918 0.85 NTRK1 (0.42) KDRNTRK1JAK3LCKBTK
SCHEMBL2065982 0.83 KDR (0.40) KDRNTRK1JAK3LCKBTK

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 8 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-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 KDR 672/4885NTRK1 327/4885JAK3 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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