SCHEMBL6057950

SCHEMBL6057950

COc1ccc2[nH]cc(CCNC(=O)Nc3nc4ccc(C(=O)Nc5c(C)cc(C)cc5C)cc4s3)c2c1

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LCK P06239 10/20 0.61
MAPT P10636 3/20 0.58
TP53 P04637 1/20 0.58
POLB P06746 2/20 0.54
MTNR1A P48039 2/20 0.54
KMT2A Q03164 2/20 0.53
MEN1 O00255 1/20 0.52
TRPV1 Q8NER1 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.49

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
SCHEMBL6057937 0.94 POLB (0.58) LCKMAPTTP53POLBMTNR1A
SCHEMBL6058227 0.89 LCK (0.62) LCKPOLB
SCHEMBL6058294 0.84 LCK (0.70) LCKKMT2AMEN1
SCHEMBL6057856 0.79 LCK (0.80) LCKKMT2AMEN1
SCHEMBL6058241 0.79 LCK (0.68) LCK
SCHEMBL7623359 0.78 LCK (0.76) LCK
SCHEMBL7622176 0.78 LCK (0.83) LCK
SCHEMBL7623364 0.78 LCK (0.81) LCK
SCHEMBL6058132 0.78 LCK (0.69) LCKKMT2AMEN1SMN1; SMN2
SCHEMBL6057903 0.77 LCK (0.79) 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 LCK 20/4885MAPT 780/4885TP53 487/4885

“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.