SCHEMBL5656418

SCHEMBL5656418

CC(=O)N1CCN(C(=O)Nc2ccc(Sc3cnc(NC(=O)OC(C)(C)C)s3)cc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 3/20 0.46
ITK Q08881 17/20 0.46
CCNB2 O95067 1/20 0.44
CCNE2 O96020 1/20 0.44
CDK1 P06493 1/20 0.44
CDK4 P11802 1/20 0.44
CCNB1 P14635 1/20 0.44
CCND1 P24385 1/20 0.44
CCNE1 P24864 1/20 0.44
CDK2 P24941 1/20 0.44
CCNB3 Q8WWL7 1/20 0.44

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
SCHEMBL5656413 0.83 NTRK1 (0.46) NTRK1ITKCCNB2CCNE2CDK1
SCHEMBL14460641 0.83 ITK (0.67) NTRK1ITKCDK2
SCHEMBL14460463 0.81 ITK (0.69) NTRK1ITKCDK2
SCHEMBL5661570 0.80 ITK (0.46) NTRK1ITK
SCHEMBL31242898 0.70 OGA (0.42) ITKCCNB2CCNE2CDK1CDK4
SCHEMBL5658029 0.70 ITK (0.48) NTRK1ITKCCNB2CCNE2CDK1
SCHEMBL5657635 0.69 ITK (0.45) NTRK1ITKCCNB2CCNE2CDK1
SCHEMBL25680801 0.69 MAPT (0.64)
SCHEMBL31242853 0.69 KDR (0.38) ITKCCNB2CCNE2CDK1CDK4
SCHEMBL14460653 0.68 ITK (0.82) ITKCDK2

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7241781-B2 2-(pyridinylamino)thiazolylthio(optional methyl)-benzamides or -benzenealkanamides; may also contain antiinflammatory agents, antiproliferative agents, anticancer agents or anticytotoxic agents. BRISTOL-MYERS SQUIBB COMPANY (US) 2007-07-10 US disclosed
EP-1671969-A2 Thiazolyl inhibitors of tec family tyrosine kinases Bristol-Myers Squibb Company (US) 2006-06-21 EP disclosed
US-7037926-B2 Thiazolyl inhibitors of Tec family tyrosine kinases BRISTOL-MYERS SQUIBB COMPANY (US) 2006-05-02 US disclosed
EP-1347971-B1 THIAZOLYL INHIBITORS OF TEC FAMILY TYROSINE KINASES BRISTOL MYERS SQUIBB CO (US) 2006-03-01 EP disclosed
US-20060030598-A1 Thiazolyl inhibitors of Tec family tyrosine kinases BARRISH JOEL C 2006-02-09 US disclosed
US-6958336-B2 Thiazolyl inhibitors of Tec family tyrosine kinases BRISTOL-MYERS SQUIBB COMPANY (US) 2005-10-25 US disclosed
US-20040110752-A1 Thiazolyl inhibitors of Tec family tyrosine kinases BARRISH JOEL C (US) 2004-06-10 US disclosed
US-20040077695-A1 Thiazolyl inhibitors of Tec family tyrosine kinases BARRISH JO I C (US) 2004-04-22 US disclosed
US-20040067990-A1 Thiazolyl inhibitors of Tec family tyrosine kinases BARRISH JOEL C (US) 2004-04-08 US disclosed
US-20040067989-A1 Thiazolyl inhibitors of Tec family tyrosine kinases BARRISH JOEL C (US) 2004-04-08 US disclosed
US-6706717-B2 ANTICANCER AGENTS; IMMUNOLOGY DISEASES; ANTIALLERGENS; ANTIINFLAMMATORY AGENTS BRISTOL-MYERS SQUIBB COMPANY 2004-03-16 US disclosed
EP-1347971-A1 THIAZOLYL INHIBITORS OF TEC FAMILY TYROSINE KINASES Bristol-Myers Squibb Company (US) 2003-10-01 EP disclosed
US-20030069238-A1 Thiazolyl inhibitors of Tec family tyrosine kinases BRISTOL-MYERS SQUIBB COMPANY 2003-04-10 US disclosed
WO-2002050071-A1 THIAZOLYL INHIBITORS OF TEC FAMILY TYROSINE KINASES BRISTOL-MYERS SQUIBB COMPANY (US) 2002-06-27 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 (6 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-20040077695-A1 Thiazolyl inhibitors of Tec family tyrosine kinases TEC, LCK, LTK NTRK1 625/4885ITK 10/4885CCNB2 3704/4885
US-20040067990-A1 Thiazolyl inhibitors of Tec family tyrosine kinases TEC, LCK, LTK NTRK1 625/4885ITK 10/4885CCNB2 3704/4885
US-20040067989-A1 Thiazolyl inhibitors of Tec family tyrosine kinases TEC, LCK, LTK NTRK1 625/4885ITK 10/4885CCNB2 3704/4885
US-20030069238-A1 Thiazolyl inhibitors of Tec family tyrosine kinases TEC, LCK, LTK NTRK1 625/4885ITK 10/4885CCNB2 3704/4885
US-20060030598-A1 Thiazolyl inhibitors of Tec family tyrosine kinases TEC, LCK, LTK NTRK1 625/4885ITK 10/4885CCNB2 3704/4885
US-20040110752-A1 Thiazolyl inhibitors of Tec family tyrosine kinases TEC, LCK, LTK NTRK1 625/4885ITK 10/4885CCNB2 3704/4885

“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.