SCHEMBL5658075

SCHEMBL5658075

CC(=O)N1CCN(C(=O)c2ccc(C)c(Sc3cnc(Nc4ccccn4)s3)c2)CC1

nearest known ligand 0.75

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 12/20 0.75
ITK Q08881 6/20 0.75
JAK3 P52333 3/20 0.67
BTK Q06187 2/20 0.67
TXK P42681 1/20 0.62

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 0.86 NTRK1 (1.00) NTRK1ITK
SCHEMBL5655992 0.85 NTRK1 (1.00) NTRK1ITKJAK3BTK
SCHEMBL20161501 0.80 JAK3 (1.00) NTRK1ITKJAK3BTKTXK
SCHEMBL14460989 0.80 ITK (1.00) NTRK1ITKJAK3BTK
SCHEMBL5657610 0.78 NTRK1 (0.84) NTRK1ITKJAK3BTKTXK
SCHEMBL5656973 0.78 ITK (1.00) ITKBTK
SCHEMBL7002646 0.78 NTRK1 (0.76) NTRK1ITKJAK3BTKTXK
SCHEMBL14460950 0.78 NTRK1 (0.88) NTRK1ITKJAK3BTK
SCHEMBL14460947 0.77 NTRK1 (0.87) NTRK1ITKJAK3BTK
SCHEMBL5660116 0.77 NTRK1 (0.77) NTRK1ITK

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 16 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
US-20030069238-A1 Thiazolyl inhibitors of Tec family tyrosine kinases BRISTOL-MYERS SQUIBB COMPANY 2003-04-10 US 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 10/4885JAK3 61/4885
US-20040067990-A1 Thiazolyl inhibitors of Tec family tyrosine kinases TEC, LCK, LTK NTRK1 625/4885ITK 10/4885JAK3 61/4885
US-20040067989-A1 Thiazolyl inhibitors of Tec family tyrosine kinases TEC, LCK, LTK NTRK1 625/4885ITK 10/4885JAK3 61/4885
US-20030069238-A1 Thiazolyl inhibitors of Tec family tyrosine kinases TEC, LCK, LTK NTRK1 625/4885ITK 10/4885JAK3 61/4885
US-20060030598-A1 Thiazolyl inhibitors of Tec family tyrosine kinases TEC, LCK, LTK NTRK1 625/4885ITK 10/4885JAK3 61/4885
US-20040110752-A1 Thiazolyl inhibitors of Tec family tyrosine kinases TEC, LCK, LTK NTRK1 625/4885ITK 10/4885JAK3 61/4885

“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.