SCHEMBL2067934

SCHEMBL2067934

O=C(NCC(c1ccccc1)c1ccccc1)c1nccc(Sc2cnc(Nc3ccc(CO)cn3)s2)c1F

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 12/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ KDR P35968 4/20 0.34
▸ GRM4 Q14833 1/20 0.34
▸ JAK3 P52333 2/20 0.33
▸ ITK Q08881 1/20 0.33
▸ BTK Q06187 1/20 0.33

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
SCHEMBL2066253 0.89 NTRK1 (0.47) NTRK1KDRJAK3ITKBTK
SCHEMBL10193864 0.88 NTRK1 (0.41) NTRK1SMN1; SMN2KDRJAK3BTK
Hydrochloric Acid SCHEMBL2067915 0.87 NTRK1 (0.41) NTRK1SMN1; SMN2KDRJAK3BTK
SCHEMBL2066340 0.86 NTRK1 (0.38) NTRK1KDRGRM4JAK3ITK
SCHEMBL2066179 0.85 NTRK1 (0.38) NTRK1KDRGRM4JAK3ITK
SCHEMBL2066670 0.85 NTRK1 (0.40) NTRK1KDRJAK3ITKBTK
SCHEMBL10193870 0.85 KDR (0.41) NTRK1KDRJAK3ITKBTK
SCHEMBL2065656 0.85 KDR (0.45) NTRK1KDRJAK3BTK
SCHEMBL2065973 0.84 NTRK1 (0.44) NTRK1KDRJAK3ITKBTK
SCHEMBL2066379 0.84 NTRK1 (0.44) NTRK1KDRJAK3ITKBTK

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 327/4885SMN1; SMN2 3008/4885KDR 672/4885

“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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