SCHEMBL6057902

SCHEMBL6057902

Cc1cc(C)c(NC(=O)c2ccc3nc(NC(=O)CC4CCCCC4)sc3c2)c(C)c1

nearest known ligand 0.71

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LCK P06239 17/20 0.71
CSNK1D P48730 1/20 0.61
ALDH1A1 P00352 1/20 0.60
KDM4E B2RXH2 1/20 0.59
MEN1 O00255 1/20 0.59
NPC1 O15118 1/20 0.59
RAB9A P51151 1/20 0.59
KMT2A Q03164 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59

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
SCHEMBL6058232 0.95 LCK (0.75) LCK
SCHEMBL6057610 0.93 LCK (0.80) LCKCSNK1DALDH1A1KDM4EMEN1
SCHEMBL6058121 0.90 LCK (0.69) LCK
SCHEMBL6058084 0.87 LCK (0.88) LCK
SCHEMBL6058029 0.87 LCK (0.70) LCK
SCHEMBL6058275 0.87 LCK (0.92) LCK
SCHEMBL6057615 0.85 LCK (0.92) LCKALDH1A1NPC1RAB9A
SCHEMBL6057796 0.84 LCK (0.78) LCK
SCHEMBL6058007 0.83 LCK (0.92) LCKALDH1A1NPC1RAB9A
SCHEMBL6058002 0.83 LCK (1.00) LCKNPC1RAB9A

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 7 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
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 20/4885CSNK1D 246/4885ALDH1A1 3749/4885

“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.