SCHEMBL3325437

SCHEMBL3325437

N#CSc1cnc(Nc2ccc(CNC(=O)O)cn2)s1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 12/20 0.42
▸ CCNE1 P24864 2/20 0.40
▸ CDK2 P24941 2/20 0.40
▸ CCNB2 O95067 1/20 0.40
▸ CCNE2 O96020 1/20 0.40
▸ CDK1 P06493 1/20 0.40
▸ CDK4 P11802 1/20 0.40
▸ CCNB1 P14635 1/20 0.40
▸ CCND1 P24385 1/20 0.40
▸ CCND2 P30279 1/20 0.40
▸ CCND3 P30281 1/20 0.40
▸ CCNB3 Q8WWL7 1/20 0.40
▸ MYC P01106 1/20 0.38
▸ WDR5 P61964 1/20 0.38
▸ ATG4B Q9Y4P1 1/20 0.36
▸ KDR P35968 2/20 0.35
▸ JAK3 P52333 1/20 0.35
▸ TRPV4 Q9HBA0 1/20 0.35
▸ CDK5 Q00535 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
SCHEMBL10193671 0.85 CCNB2 (0.42) NTRK1CCNE1CDK2CCNB2CCNE2
SCHEMBL2065120 0.83 CCNB2 (0.41) NTRK1CCNE1CDK2CCNB2CCNE2
SCHEMBL2066815 0.82 JAK3 (0.40) NTRK1CCNE1CDK2CCNB2CCNE2
SCHEMBL14046742 0.81 MYC (0.43) NTRK1CCNE1CDK2CCNB2CCNE2
SCHEMBL2065687 0.80 CCNE1 (0.39) NTRK1CCNE1CDK2CCNB2CCNE2
SCHEMBL2065789 0.78 CCNB2 (0.39) NTRK1CCNE1CDK2CCNB2CCNE2
SCHEMBL3325439 0.76 NTRK1 (0.37) NTRK1MYCWDR5KDRTRPV4
SCHEMBL2065714 0.75 JAK3 (0.39) NTRK1CCNE1CDK2CCNB2CCNE2
SCHEMBL2065686 0.74 FFAR2 (0.37) NTRK1CCNE1CDK2CCNB2CCNE2
SCHEMBL3581060 0.72 KDM4E (0.51) —

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-8343999-B2 Thiazolyl compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-01-01 — — US disclosed
US-20100120770-A1 THIAZOLYL COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2010-05-13 — — US disclosed
US-20100048581-A1 THIAZOLYL COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2010-02-25 — — US disclosed
EP-2132203-A1 THIAZOLYL COMPOUNDS USEFUL AS KINASE INHIBITORS Bristol-Myers Squibb Company (US) 2009-12-16 — — EP disclosed
EP-2099794-A2 THIAZOLYL COMPOUNDS USEFUL AS KINASE INHIBITORS Bristol-Myers Squibb Company (US) 2009-09-16 — — EP disclosed
WO-2008124757-A1 THIAZOLYL COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-10-16 — — 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 (2 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-20100120770-A1 THIAZOLYL COMPOUNDS USEFUL AS KINASE INHIBITORS TTBK1, ERBB2, TEC NTRK1 348/4885CCNE1 1099/4885CDK2 213/4885
US-20100048581-A1 THIAZOLYL COMPOUNDS USEFUL AS KINASE INHIBITORS ERBB2, TEC, TTBK1 NTRK1 327/4885CCNE1 942/4885CDK2 167/4885

“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