SCHEMBL10253465

SCHEMBL10253465

COCOc1ccccc1C(CNC(=O)c1nccc(Sc2cnc(Nc3ccccn3)s2)c1F)C1=CC=CCC1

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 14/20 0.39
▸ JAK3 P52333 4/20 0.36
▸ BTK Q06187 2/20 0.35
▸ KDR P35968 1/20 0.35
▸ ITK Q08881 2/20 0.35

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
SCHEMBL10250618 0.91 NTRK1 (0.38) NTRK1JAK3BTKKDRITK
SCHEMBL10252976 0.89 NTRK1 (0.40) NTRK1JAK3BTKKDRITK
SCHEMBL2066044 0.88 NTRK1 (0.42) NTRK1JAK3BTKKDRITK
SCHEMBL2066058 0.79 NTRK1 (0.40) NTRK1JAK3BTKKDRITK
SCHEMBL14943961 0.78 NTRK1 (0.42) NTRK1JAK3BTKKDRITK
SCHEMBL2066253 0.78 NTRK1 (0.47) NTRK1JAK3BTKKDRITK
SCHEMBL2068382 0.77 NTRK1 (0.44) NTRK1JAK3BTKKDRITK
SCHEMBL2066549 0.76 NTRK1 (0.43) NTRK1JAK3BTKKDRITK
SCHEMBL2065973 0.75 NTRK1 (0.44) NTRK1JAK3BTKKDRITK
SCHEMBL2066379 0.75 NTRK1 (0.44) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 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.

Send feedback