SCHEMBL5657996

SCHEMBL5657996

CC(=O)N1CCN(C(=O)c2cccc(Sc3cnc(N)s3)c2)CC1

nearest known ligand 0.69

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITK Q08881 13/20 0.69
NTRK1 P04629 8/20 0.66
CDK2 P24941 1/20 0.48

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
SCHEMBL5656397 0.80 NTRK1 (1.00) ITKNTRK1CDK2
SCHEMBL14460463 0.79 ITK (0.69) ITKNTRK1CDK2
SCHEMBL5657008 0.79 NTRK1 (1.00) ITKNTRK1CDK2
SCHEMBL5658136 0.77 ITK (1.00) ITKCDK2
SCHEMBL5658462 0.77 ITK (0.44) ITKNTRK1
SCHEMBL5658099 0.77 NTRK1 (0.77) ITKNTRK1CDK2
SCHEMBL5656219 0.76 NTRK1 (0.80) ITKNTRK1CDK2
SCHEMBL5658554 0.76 NTRK1 (0.77) ITKNTRK1CDK2
SCHEMBL5661570 0.75 ITK (0.46) ITKNTRK1
SCHEMBL6772743 0.74 SMN1; SMN2 (0.43) ITK

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 18 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
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
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-6956045-B2 Thiazolyl inhibitors of Tec family tyrosine kinases BRISTOL-MYERS SQUIBB COMPANY (US) 2005-10-18 US disclosed
US-6953795-B2 Thiazolyl inhibitors of Tec family tyrosine kinases BRISTOL-MYERS SQUIBB COMPANY (US) 2005-10-11 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 ITK 10/4885NTRK1 625/4885CDK2 680/4885
US-20040067990-A1 Thiazolyl inhibitors of Tec family tyrosine kinases TEC, LCK, LTK ITK 10/4885NTRK1 625/4885CDK2 680/4885
US-20040067989-A1 Thiazolyl inhibitors of Tec family tyrosine kinases TEC, LCK, LTK ITK 10/4885NTRK1 625/4885CDK2 680/4885
US-20030069238-A1 Thiazolyl inhibitors of Tec family tyrosine kinases TEC, LCK, LTK ITK 10/4885NTRK1 625/4885CDK2 680/4885
US-20060030598-A1 Thiazolyl inhibitors of Tec family tyrosine kinases TEC, LCK, LTK ITK 10/4885NTRK1 625/4885CDK2 680/4885
US-20040110752-A1 Thiazolyl inhibitors of Tec family tyrosine kinases TEC, LCK, LTK ITK 10/4885NTRK1 625/4885CDK2 680/4885

“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.