SCHEMBL2929181

SCHEMBL2929181

CN1C(=O)[C@@H](N)N=C(c2ccccc2)c2ccccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 1.00
GABRG2 P18507 2/20 1.00
GABRB3 P28472 2/20 1.00
GABRA5 P31644 2/20 1.00
GABRA3 P34903 2/20 1.00
GABRA2 P47869 2/20 1.00
GABRB2 P47870 2/20 1.00
GABRP O00591 1/20 1.00
GABRD O14764 1/20 1.00
GABRB1 P18505 1/20 1.00
GABRA4 P48169 1/20 1.00
GABRE P78334 1/20 1.00
GABRA6 Q16445 1/20 1.00
GABRG1 Q8N1C3 1/20 1.00
GABRG3 Q99928 1/20 1.00
GABRQ Q9UN88 1/20 1.00
CCKBR P32239 13/20 0.57
BRD4 O60885 1/20 0.56
BRD2 P25440 1/20 0.56
BRD3 Q15059 1/20 0.56

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
SCHEMBL2923672 1.00 GABRA1 (1.00) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL1835654 1.00 GABRA1 (1.00) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9866516 0.90 GABRP (0.82) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9432239 0.90 GABRP (0.82) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9432242 0.90 GABRP (0.82) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9432235 0.90 GABRP (0.82) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9866526 0.90 GABRP (0.82) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9866520 0.90 GABRP (0.82) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL3286663 0.89 GABRP (0.80) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL3287270 0.89 GABRP (0.80) GABRA1GABRG2GABRB3GABRA5GABRA3

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 223 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0167919-B1 BENZODIAZEPINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM MERCK & CO. INC. (US) 1993-05-05 EP claimed
EP-0253571-B1 PROCESS FOR RESOLUTION AND RACE MIZATION OF AMINES WITH ACIDIC ALPHA-HYDROGENS MERCK & CO. INC. (US) 1989-08-23 EP claimed
US-4859771-A Process for resolution and racemization of amines with acidic α-hydrogens MERCK & CO., INC. (US) 1989-08-22 US claimed
EP-0253571-A1 Process for resolution and race mization of amines with acidic alpha-hydrogens MERCK & CO. INC. (US) 1988-01-20 EP claimed
EP-0167919-A2 Benzodiazepine derivatives and pharmaceutical compositions containing them MERCK & CO. INC. (US) 1986-01-15 EP claimed
EP-2897954-B1 FLUOROALKYL-1,4-BENZODIAZEPINONE COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2016-10-26 EP disclosed
EP-2897954-B1 FLUOROALKYL-1,4-BENZODIAZEPINONE COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2016-10-26 EP disclosed
EP-2897941-B1 PRODRUGS OF 1,4-BENZODIAZEPINONE COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2016-09-07 EP disclosed
EP-2897941-B1 PRODRUGS OF 1,4-BENZODIAZEPINONE COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2016-09-07 EP disclosed
US-20160060232-A1 BIS(FLUOROALKYL)-1,4-BENZODIAZEPINONE COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2016-03-03 US disclosed
US-20160060232-A1 BIS(FLUOROALKYL)-1,4-BENZODIAZEPINONE COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2016-03-03 US disclosed
US-20160060232-A1 BIS(FLUOROALKYL)-1,4-BENZODIAZEPINONE COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2016-03-03 US disclosed
EP-0387618-A1 1,7-Fused 1H-indole-2-carboxylic N-(1,4-benzodiazepin-3-yl)-amides Kali-Chemie Pharma GmbH (DE) 1990-09-19 EP disclosed
EP-0385735-A1 Benzodiazepine analogs BIOMEASURE, INC. (US) 1990-09-05 EP disclosed
EP-0253571-B1 PROCESS FOR RESOLUTION AND RACE MIZATION OF AMINES WITH ACIDIC ALPHA-HYDROGENS MERCK & CO. INC. (US) 1989-08-23 EP disclosed
US-4859771-A Process for resolution and racemization of amines with acidic α-hydrogens MERCK & CO., INC. (US) 1989-08-22 US disclosed
US-4820834-A Benzodiazepine analogs MERCK & CO., INC. (US) 1989-04-11 US disclosed
EP-0284256-A1 Benzodiazepine analogs MERCK & CO. INC. (US) 1988-09-28 EP disclosed
EP-0253571-A1 Process for resolution and race mization of amines with acidic alpha-hydrogens MERCK & CO. INC. (US) 1988-01-20 EP disclosed
EP-0167919-A2 Benzodiazepine derivatives and pharmaceutical compositions containing them MERCK & CO. INC. (US) 1986-01-15 EP 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-20160060232-A1 BIS(FLUOROALKYL)-1,4-BENZODIAZEPINONE COMPOUNDS CNR1, CNR2, NR1I3 GABRA1 146/4885GABRG2 336/4885GABRB3 109/4885

“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.