SCHEMBL6058291

SCHEMBL6058291

O=C(O)Nc1nc2ccc(C(=O)Nc3ccc4ccccc4c3)cc2s1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.61
NPC1 O15118 6/20 0.57
RAB9A P51151 6/20 0.57
LCK P06239 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
ALDH1A1 P00352 1/20 0.57
LMNA P02545 1/20 0.57
DYRK1A Q13627 1/20 0.56
SCD O00767 4/20 0.56
SNCA P37840 1/20 0.55
HSD17B1 P14061 1/20 0.54
HSD17B2 P37059 1/20 0.54
LRRK2 Q5S007 1/20 0.54
CASP3 P42574 1/20 0.53
SENP8 Q96LD8 1/20 0.53
SENP7 Q9BQF6 1/20 0.53
SENP6 Q9GZR1 1/20 0.53

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
SCHEMBL29532955 0.88 CASP3 (0.65) HTTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL17251803 0.88 CASP3 (0.65) HTTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL6058049 0.86 NPC1 (0.63) HTTNPC1RAB9ALCKSMN1; SMN2
SCHEMBL31398557 0.84 HSD17B10 (0.67) HTTNPC1RAB9ASMN1; SMN2SCD
SCHEMBL6057846 0.83 HSD17B10 (0.56) HTTNPC1RAB9ALCKSMN1; SMN2
SCHEMBL21681925 0.83 RAB9A (0.68) HTTNPC1RAB9ALCKSMN1; SMN2
SCHEMBL21682154 0.83 SCD (0.70) HTTNPC1RAB9ALCKSMN1; SMN2
SCHEMBL6058431 0.81 HTT (0.61) HTTNPC1RAB9ALCKALDH1A1
SCHEMBL21681916 0.81 MAP3K5 (0.69) HTTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL6058400 0.81 SMN1; SMN2 (0.58) HTTNPC1RAB9ALCKSMN1; SMN2

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 HTT 1325/4885NPC1 2700/4885RAB9A 2372/4885

“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.