SCHEMBL6058057

SCHEMBL6058057

COc1cc2nc(NC(=O)O)sc2cc1C(=O)Nc1c(C)cc(C)cc1C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 13/20 0.53
KDM4E B2RXH2 2/20 0.47
NPC1 O15118 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
RAB9A P51151 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
DCLK1 O15075 1/20 0.47
FES P07332 1/20 0.47
PIM1 P11309 1/20 0.47
CDK2 P24941 1/20 0.47
GSK3A P49840 1/20 0.47
GSK3B P49841 1/20 0.47
IRAK1 P51617 1/20 0.47
MAP4K2 Q12851 1/20 0.47
NTRK3 Q16288 1/20 0.47
HIPK4 Q8NE63 1/20 0.47
AURKB Q96GD4 1/20 0.47
CLK4 Q9HAZ1 1/20 0.47
STK17A Q9UEE5 1/20 0.47

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
SCHEMBL6058271 0.85 LCK (0.56) LCK
SCHEMBL6058151 0.84 LCK (0.55) LCKNPC1RAB9A
SCHEMBL6058283 0.82 LCK (0.55) LCK
SCHEMBL7628458 0.82 PKM (0.45) LCKMAPT
SCHEMBL6057630 0.78 LCK (0.61) LCK
SCHEMBL6057811 0.77 LCK (0.84) LCK
SCHEMBL6057508 0.77 LCK (0.69) LCK
SCHEMBL6057807 0.74 LCK (0.54) LCK
SCHEMBL6057754 0.74 MEN1 (0.53) LCKKDM4ENPC1RAB9AMAPT
SCHEMBL773488 0.73 LCK (0.82) LCK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1037632-B1 BENZOTHIAZOLE PROTEIN TYROSINE KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2006-01-11 EP claimed
US-6825355-B2 FOR THERAPY OF IMMUNOLOGIC DISORDERS SUCH AS TRANSPLANT REJECTION, RHEUMATOID ARTHRITIS. MULTIPLE SCLEROSIS, INFLAMMATORY BOWEL DISEASE, LUPUS, GRAFT VS. HOST DISEASE BRISTOL-MYERS SQUIBB CO. 2004-11-30 US claimed
US-20020123484-A1 Benzothiazole protein trosine kinase inhibitors DAS JAGABNDHU (US) 2002-09-05 US claimed
EP-1037632-B1 BENZOTHIAZOLE PROTEIN TYROSINE KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2006-01-11 EP disclosed
US-6825355-B2 FOR THERAPY OF IMMUNOLOGIC DISORDERS SUCH AS TRANSPLANT REJECTION, RHEUMATOID ARTHRITIS. MULTIPLE SCLEROSIS, INFLAMMATORY BOWEL DISEASE, LUPUS, GRAFT VS. HOST DISEASE BRISTOL-MYERS SQUIBB CO. 2004-11-30 US disclosed
EP-1037632-A4 BENZOTHIAZOLE PROTEIN TYROSINE KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2002-08-21 EP disclosed
EP-1037632-A1 BENZOTHIAZOLE PROTEIN TYROSINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2000-09-27 EP disclosed
WO-1999024035-A1 BENZOTHIAZOLE PROTEIN TYROSINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 1999-05-20 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 (1 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-20020123484-A1 Benzothiazole protein trosine kinase inhibitors TXK, LTK, JAK2 LCK 20/4885KDM4E 1679/4885NPC1 2700/4885

“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.