SCHEMBL5757513

SCHEMBL5757513

N#Cc1ccc2c(c1)CN(S(=O)(=O)c1ccc(Br)s1)C(Cc1ccccc1)CN2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FNTA P49354 11/20 0.47
▸ FNTB P49356 11/20 0.47
▸ HRAS P01112 1/20 0.47
▸ KRAS P01116 1/20 0.47
▸ PGGT1B P53609 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.44
▸ MAPT P10636 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ PGR P06401 1/20 0.36
▸ TSHR P16473 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ HCRTR1 O43613 1/20 0.35
▸ HCRTR2 O43614 1/20 0.35
▸ PSEN1 P49768 1/20 0.35
▸ PSEN2 P49810 1/20 0.35
▸ APH1B Q8WW43 1/20 0.35
▸ NCSTN Q92542 1/20 0.35
▸ APH1A Q96BI3 1/20 0.35
▸ PSENEN Q9NZ42 1/20 0.35
▸ LMNA P02545 1/20 0.34

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
SCHEMBL5757506 1.00 FNTA (0.47) FNTAFNTBHRASKRASPGGT1B
SCHEMBL5755053 0.86 FNTA (0.62) FNTAFNTBHRASKRASPGGT1B
SCHEMBL5790292 0.86 FNTA (0.62) FNTAFNTBHRASKRASPGGT1B
SCHEMBL5787326 0.85 FNTA (0.59) FNTAFNTBHRASKRASPGGT1B
SCHEMBL5787316 0.85 FNTA (0.59) FNTAFNTBHRASKRASPGGT1B
SCHEMBL6615549 0.84 FNTA (0.47) FNTAFNTBHRASKRASPGGT1B
SCHEMBL6615552 0.84 FNTA (0.47) FNTAFNTBHRASKRASPGGT1B
SCHEMBL6614317 0.84 FNTA (0.58) FNTAFNTBHRASKRASPGGT1B
SCHEMBL7666114 0.82 FNTA (0.47) FNTAFNTBHRASKRASPGGT1B
SCHEMBL6630924 0.82 FNTA (0.58) FNTAFNTBHRASKRASPGGT1B

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
US-7074921-B2 Process for the preparation of 3,7-disubstituted-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine compounds BRISTOL MYERS SQUIBB COMPANY (US) 2006-07-11 — — US claimed
EP-1443936-A4 PROCESS FOR THE PREPARATION OF 3,7-DISUBSTITUTED-2,3,4,5- TETRAHYDRO-1H-1,4-BENZODIAZEPINE COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2006-01-11 — — EP claimed
EP-1443936-A2 PROCESS FOR THE PREPARATION OF 3,7-DISUBSTITUTED-2,3,4,5- TETRAHYDRO-1H-1,4-BENZODIAZEPINE COMPOUNDS Bristol-Myers Squibb Company (US) 2004-08-11 — — EP claimed
US-20030162965-A1 Process for the preparation of 3,7-disubstituted-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine compounds BRISTOL-MYERS SQUIBB COMPANY 2003-08-28 — — US claimed
WO-2003041658-A2 PROCESS FOR THE PREPARATION OF 3,7-DISUBSTITUTED-2,3,4,5- TETRAHYDRO-1H-1,4-BENZODIAZEPINE COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-05-22 — — WO claimed
US-7074921-B2 Process for the preparation of 3,7-disubstituted-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine compounds BRISTOL MYERS SQUIBB COMPANY (US) 2006-07-11 — — US disclosed
US-20030162965-A1 Process for the preparation of 3,7-disubstituted-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine compounds BRISTOL-MYERS SQUIBB COMPANY 2003-08-28 — — 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-20030162965-A1 Process for the preparation of 3,7-disubstituted-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine compounds GABRA4, GABRA3, GABRA6 FNTA 43/4885FNTB 27/4885HRAS 3246/4885

“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.

Send feedback