SCHEMBL6058046

SCHEMBL6058046

COC(=O)c1cc2nc(N)sc2cc1Br

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.46
CYP2C9 P11712 3/20 0.46
KCNH2 Q12809 1/20 0.46
CYP1A2 P05177 3/20 0.46
SMN1; SMN2 Q16637 5/20 0.45
ALDH1A1 P00352 3/20 0.45
TP53 P04637 1/20 0.45
TSHR P16473 1/20 0.45
CYP2C19 P33261 1/20 0.43
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
ILK Q13418 1/20 0.41
RAB9A P51151 4/20 0.40
NPC1 O15118 3/20 0.40
MAPT P10636 3/20 0.40
KDM4E B2RXH2 2/20 0.40
CYP2D6 P10635 1/20 0.40
GAA P10253 3/20 0.40
HTT P42858 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL23858344 0.81 CYP3A4 (0.58) CYP3A4CYP2C9KCNH2CYP1A2SMN1; SMN2
SCHEMBL2913039 0.80 GAA (0.49) CYP3A4CYP2C9KCNH2CYP1A2SMN1; SMN2
SCHEMBL30727366 0.80 KDM4E (0.51) CYP3A4CYP2C9KCNH2CYP1A2SMN1; SMN2
SCHEMBL6058371 0.80 KDM4E (0.51) CYP3A4CYP2C9KCNH2CYP1A2SMN1; SMN2
SCHEMBL23629051 0.77 CYP3A4 (0.44) CYP3A4CYP2C9KCNH2CYP1A2SMN1; SMN2
SCHEMBL25732778 0.76 NPC1 (0.42) SMN1; SMN2ALDH1A1KMT2AMEN1RAB9A
SCHEMBL23539459 0.75 UBE2M (0.41) CYP3A4CYP2C9CYP1A2ALDH1A1TP53
SCHEMBL25732384 0.75 UBE2M (0.39) ALDH1A1TP53RAB9ANPC1MAPT
SCHEMBL29851908 0.75 UBE2M (0.41) CYP3A4CYP2C9CYP1A2ALDH1A1TP53
SCHEMBL6057635 0.74 NSD1 (0.55) CYP3A4CYP2C9KCNH2CYP1A2SMN1; 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 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
US-20020123484-A1 Benzothiazole protein trosine kinase inhibitors DAS JAGABNDHU (US) 2002-09-05 US disclosed
EP-1037632-A4 BENZOTHIAZOLE PROTEIN TYROSINE KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2002-08-21 EP disclosed
CN-1290165-A Benzothiazole Protein tyrosine kinase inhibitors BRISTOL MYERS SQUIBB CO (US) 2001-04-04 CN 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 CYP3A4 4231/4885CYP2C9 4338/4885KCNH2 4200/4885

“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.