SCHEMBL2064849

SCHEMBL2064849

O=C(NCC1(c2ccccc2)CC1)c1nccc(Sc2cnc(Nc3ccccn3)s2)c1F

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 13/20 0.43
▸ JAK3 P52333 4/20 0.41
▸ BTK Q06187 3/20 0.41
▸ KDR P35968 2/20 0.40
▸ ITK Q08881 2/20 0.40
▸ TXK P42681 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
SCHEMBL3322063 0.86 MAPK1 (0.41) NTRK1JAK3BTKKDR
SCHEMBL3323792 0.86 NTRK1 (0.40) NTRK1JAK3BTKKDRTXK
SCHEMBL3330546 0.85 P2RX7 (0.44) NTRK1JAK3BTKKDRTXK
SCHEMBL3330585 0.84 JAK3 (0.40) NTRK1JAK3BTKKDRITK
SCHEMBL3330399 0.84 NTRK1 (0.43) NTRK1JAK3BTKKDRITK
SCHEMBL2065650 0.84 NTRK1 (0.50) NTRK1JAK3BTKKDRITK
SCHEMBL3329980 0.83 JAK3 (0.37) NTRK1JAK3BTKKDRITK
SCHEMBL2066253 0.83 NTRK1 (0.47) NTRK1JAK3BTKKDRITK
SCHEMBL3326268 0.83 NTRK1 (0.45) NTRK1JAK3BTKKDRITK
SCHEMBL3331377 0.83 JAK3 (0.39) NTRK1JAK3BTKKDRITK

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 NTRK1 327/4885JAK3 60/4885BTK 18/4885

“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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