SCHEMBL6058153

SCHEMBL6058153

COc1cccc(CCC(=O)Nc2nc3ccc(C(=O)Nc4c(C)cccc4C)cc3s2)c1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CSNK1D P48730 3/20 0.60
LCK P06239 9/20 0.59
MAPT P10636 2/20 0.59
GAA P10253 1/20 0.59
ADORA3 P0DMS8 1/20 0.58
MAOB P27338 1/20 0.58
ADORA2A P29274 1/20 0.58
ADORA2B P29275 1/20 0.58
ADORA1 P30542 1/20 0.58
SCD O00767 4/20 0.58
NPC1 O15118 1/20 0.54
TSHR P16473 1/20 0.54
RAB9A P51151 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54

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
SCHEMBL6057794 0.95 LCK (0.61) CSNK1DLCKMAPTGAAADORA3
SCHEMBL6057953 0.94 LCK (0.66) LCK
SCHEMBL6058242 0.91 CSNK1D (0.74) CSNK1DLCKSCD
SCHEMBL6058174 0.89 LCK (0.66) LCKMAPTRAB9A
SCHEMBL6057921 0.86 LCK (0.64) CSNK1DLCKSCD
SCHEMBL6057924 0.86 LCK (0.70) CSNK1DLCKSCD
SCHEMBL6058148 0.86 CSNK1D (0.71) CSNK1DLCKSCD
SCHEMBL6057985 0.85 LCK (0.73) CSNK1DLCK
SCHEMBL6058169 0.85 LCK (0.64) CSNK1DLCK
SCHEMBL6057893 0.83 LCK (0.75) 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 4 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

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 CSNK1D 246/4885LCK 20/4885MAPT 780/4885

“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.