SCHEMBL2066820

SCHEMBL2066820

O=C(NCC(CO)(c1ccccc1)c1ccccc1)c1cc(Sc2cnc(Nc3ccc(NC4CCNCC4)cn3)s2)ccn1

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 17/20 0.41
▸ ITK Q08881 3/20 0.37
▸ PRMT5 O14744 1/20 0.34
▸ WDR77 Q9BQA1 1/20 0.34

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
SCHEMBL2066392 0.91 NTRK1 (0.41) NTRK1ITK
SCHEMBL14144927 0.89 NTRK1 (0.40) NTRK1ITK
SCHEMBL2065567 0.88 NTRK1 (0.41) NTRK1ITK
SCHEMBL2066184 0.87 NTRK1 (0.41) NTRK1ITK
SCHEMBL3825541 0.79 NTRK1 (0.34) NTRK1ITK
SCHEMBL14943975 0.78 NTRK1 (0.41) NTRK1ITK
SCHEMBL2065104 0.74 NTRK1 (0.56) NTRK1ITK
SCHEMBL2065673 0.72 NTRK1 (0.54) NTRK1ITK
SCHEMBL2067665 0.72 NTRK1 (0.54) NTRK1ITK
SCHEMBL2065465 0.71 NTRK1 (0.55) NTRK1ITK

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 11 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
EP-2099794-A2 THIAZOLYL COMPOUNDS USEFUL AS KINASE INHIBITORS Bristol-Myers Squibb Company (US) 2009-09-16 — — EP disclosed
WO-2008079873-A2 THIAZOLYL COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-07-03 — — WO 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 327/4885ITK 82/4885PRMT5 1852/4885

“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