SCHEMBL5658029

SCHEMBL5658029

CC(C)(C)OC(=O)Nc1ncc(Sc2cccc(C(=O)O)c2)s1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ITK Q08881 6/20 0.48
CCNE2 O96020 5/20 0.46
CCNE1 P24864 5/20 0.46
CDK2 P24941 5/20 0.46
CDK4 P11802 2/20 0.46
CCND1 P24385 2/20 0.46
CCNB2 O95067 1/20 0.46
CDK1 P06493 1/20 0.46
CCNB1 P14635 1/20 0.46
CCNB3 Q8WWL7 1/20 0.46
NTRK1 P04629 4/20 0.44
LCK P06239 5/20 0.42
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL5657635 0.91 ITK (0.45) ITKCCNE2CCNE1CDK2CDK4
SCHEMBL14460463 0.84 ITK (0.69) ITKCDK2NTRK1
SCHEMBL28014843 0.74 KDR (0.62) CCNE1CDK2LCK
SCHEMBL12026713 0.74 CFTR (0.49) ITKNTRK1
SCHEMBL5662363 0.74 NTRK1 (0.69) ITKNTRK1
SCHEMBL5659305 0.72 NTRK1 (0.70) ITKCDK2NTRK1
SCHEMBL14460641 0.72 ITK (0.67) ITKCDK2NTRK1
SCHEMBL951493 0.71 CA1 (0.46) CCNE2CCNE1CDK2CDK4CCND1
SCHEMBL28247393 0.71 LIMK1 (0.49) CCNE1CDK2LCKHPGDHSD17B10
SCHEMBL12466 0.71 CCNE2 (0.58) CCNE2CCNE1CDK2CDK4CCND1

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 10/4885CCNE2 3964/4885CCNE1 2734/4885
US-20040067990-A1 Thiazolyl inhibitors of Tec family tyrosine kinases TEC, LCK, LTK ITK 10/4885CCNE2 3964/4885CCNE1 2734/4885
US-20040067989-A1 Thiazolyl inhibitors of Tec family tyrosine kinases TEC, LCK, LTK ITK 10/4885CCNE2 3964/4885CCNE1 2734/4885
US-20030069238-A1 Thiazolyl inhibitors of Tec family tyrosine kinases TEC, LCK, LTK ITK 10/4885CCNE2 3964/4885CCNE1 2734/4885
US-20060030598-A1 Thiazolyl inhibitors of Tec family tyrosine kinases TEC, LCK, LTK ITK 10/4885CCNE2 3964/4885CCNE1 2734/4885
US-20040110752-A1 Thiazolyl inhibitors of Tec family tyrosine kinases TEC, LCK, LTK ITK 10/4885CCNE2 3964/4885CCNE1 2734/4885

“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.