SCHEMBL5656413

SCHEMBL5656413

CC(=O)N1CCN(C(=O)Nc2ccccc2Sc2cnc(NC(=O)OC(C)(C)C)s2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 3/20 0.46
ITK Q08881 16/20 0.43
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
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
CCNE1 P24864 1/20 0.40
CCNB3 Q8WWL7 1/20 0.40
PRKD3 O94806 1/20 0.40
PRKCG P05129 1/20 0.40
PRKCB P05771 1/20 0.40
INSR P06213 1/20 0.40
LCK P06239 1/20 0.40
FYN P06241 1/20 0.40

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
SCHEMBL5656418 0.83 NTRK1 (0.46) NTRK1ITKCDK2CCNB2CCNE2
SCHEMBL5661567 0.81 ALDH1A1 (0.46) NTRK1ITKALDH1A1LMNASMN1; SMN2
SCHEMBL14460463 0.78 ITK (0.69) NTRK1ITKCDK2BTK
SCHEMBL14460641 0.76 ITK (0.67) NTRK1ITKCDK2TXKBTK
SCHEMBL31242898 0.69 OGA (0.42) ITKALDH1A1SMN1; SMN2CDK2CCNB2
SCHEMBL31242853 0.67 KDR (0.38) ITKSMN1; SMN2CDK2CCNB2CCNE2
SCHEMBL6774298 0.67 ITK (0.54) ITKALDH1A1LMNASMN1; SMN2TXK
SCHEMBL5658029 0.67 ITK (0.48) NTRK1ITKCDK2CCNB2CCNE2
SCHEMBL5657635 0.66 ITK (0.45) NTRK1ITKSMN1; SMN2CDK2CCNB2
SCHEMBL14460650 0.66 ITK (0.79) ITKCDK2BTK

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 10/4885ALDH1A1 2945/4885
US-20040067990-A1 Thiazolyl inhibitors of Tec family tyrosine kinases TEC, LCK, LTK NTRK1 625/4885ITK 10/4885ALDH1A1 2945/4885
US-20040067989-A1 Thiazolyl inhibitors of Tec family tyrosine kinases TEC, LCK, LTK NTRK1 625/4885ITK 10/4885ALDH1A1 2945/4885
US-20030069238-A1 Thiazolyl inhibitors of Tec family tyrosine kinases TEC, LCK, LTK NTRK1 625/4885ITK 10/4885ALDH1A1 2945/4885
US-20060030598-A1 Thiazolyl inhibitors of Tec family tyrosine kinases TEC, LCK, LTK NTRK1 625/4885ITK 10/4885ALDH1A1 2945/4885
US-20040110752-A1 Thiazolyl inhibitors of Tec family tyrosine kinases TEC, LCK, LTK NTRK1 625/4885ITK 10/4885ALDH1A1 2945/4885

“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.