SCHEMBL2653989

SCHEMBL2653989

O=C(O)c1c(-c2ccccc2)cnnc1-c1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.69
GABRG2 P18507 1/20 0.69
GABRB3 P28472 1/20 0.69
GABRA5 P31644 1/20 0.69
GABRA3 P34903 1/20 0.69
DHODH Q02127 7/20 0.42
PDE10A Q9Y233 2/20 0.42
LMNA P02545 2/20 0.42
TSHR P16473 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
KDM4E B2RXH2 1/20 0.40
CYP3A4 P08684 1/20 0.39
CYP2C8 P10632 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
FOLH1 Q04609 1/20 0.38
NR4A2 P43354 1/20 0.38

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
SCHEMBL29618008 1.00 GABRA1 (0.69) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL8535314 0.88 GABRA1 (0.56) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL8586468 0.86 GABRA1 (0.66) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL8534202 0.86 GABRA1 (0.66) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL8581797 0.85 GABRA1 (0.53) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL8534161 0.83 GABRA1 (0.54) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL2652800 0.82 GABRG2 (1.00) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL29899479 0.82 GABRG2 (1.00) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL6121572 0.82 GABRA1 (0.69) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL8534623 0.82 GABRA1 (0.65) 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 54 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9388176-B2 Method of treating conditiions with kinase inhibitors ALLERGAN, INC. (US) 2016-07-12 US claimed
US-20130237537-A1 METHOD OF TREATING CONDITIIONS WITH KINASE INHIBITORS ALLERGAN, INC. (US) 2013-09-12 US claimed
US-12024525-B2 Benzodiazepine derivatives, compositions, and methods for treating cognitive impairment AGENEBIO, INC. (US) 2024-07-02 US disclosed
US-20240132513-A1 BENZAZEPINE DERIVATIVES, COMPOSITIONS, AND METHODS FOR TREATING COGNITIVE IMPAIRMENT AGENEBIO, INC. 2024-04-25 US disclosed
EP-3555100-B1 BENZODIAZEPINE DERIVATIVES, COMPOSITIONS, AND METHODS FOR TREATING COGNITIVE IMPAIRMENT AGENEBIO INC (US) 2023-05-10 EP disclosed
US-20230134844-A1 BENZODIAZEPINE DERIVATIVES, COMPOSITIONS, AND METHODS FOR TREATING COGNITIVE IMPAIRMENT AGENEBIO, INC. 2023-05-04 US disclosed
US-20230107032-A1 BENZODIAZEPINE DERIVATIVES, COMPOSITIONS, AND METHODS FOR TREATING COGNITIVE IMPAIRMENT NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2023-04-06 US disclosed
US-20230098667-A1 BENZODIAZEPINE DERIVATIVES, COMPOSITIONS, AND METHODS FOR TREATING COGNITIVE IMPAIRMENT AGENEBIO, INC. 2023-03-30 US disclosed
US-11414425-B2 Benzodiazepine derivatives, compositions, and methods for treating cognitive impairment AGENEBIO, INC. (US) 2022-08-16 US disclosed
US-11312721-B2 Benzodiazepine derivatives, compositions, and methods for treating cognitive impairment AGENEBIO, INC. (US) 2022-04-26 US disclosed
US-11142529-B2 Benzodiazepine derivatives, compositions, and methods for treating cognitive impairment AGENEBIO, INC. (US) 2021-10-12 US disclosed
US-20130237545-A1 PYRIDAZINE DERIVATIVES, COMPOSITIONS AND METHODS FOR TREATING COGNITIVE IMPAIRMENT AGENEBIO, INC. (US) 2013-09-12 US disclosed
US-20130237545-A1 PYRIDAZINE DERIVATIVES, COMPOSITIONS AND METHODS FOR TREATING COGNITIVE IMPAIRMENT AGENEBIO, INC. (US) 2013-09-12 US disclosed
US-20130237538-A1 KINASE INHIBITORS ALLERGAN, INC. (US) 2013-09-12 US disclosed
US-20130237537-A1 METHOD OF TREATING CONDITIIONS WITH KINASE INHIBITORS ALLERGAN, INC. (US) 2013-09-12 US disclosed
US-20130237530-A1 BENZODIAZEPINE DERIVATIVES, COMPOSITIONS AND METHODS FOR TREATING COGNITIVE IMPAIRMENT AGENEBIO, INC. (US) 2013-09-12 US disclosed
WO-2012068161-A1 PYRIDAZINE DERIVATIVES, COMPOSITIONS AND METHODS FOR TREATING COGNITIVE IMPAIRMENT AGENEBIO, INC. (US) 2012-05-24 WO disclosed
US-20060235021-A1 Phenylpyridazine derivatives as ligands for gaba receptors MERCK SHARP & DOHME LTD. (GB) 2006-10-19 US disclosed
EP-1532120-A1 PHENYLPYRIDAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LTD. (GB) 2005-05-25 EP disclosed
WO-2004014865-A1 PHENYLPYRIDAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LIMITED (GB) 2004-02-19 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 (13 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-20060235021-A1 Phenylpyridazine derivatives as ligands for gaba receptors GABRA5, GABRA2, GABRA3 GABRA1 5/4885GABRG2 20/4885GABRB3 8/4885
US-20130237545-A1 PYRIDAZINE DERIVATIVES, COMPOSITIONS AND METHODS FOR TREATING COGNITIVE IMPAIRMENT GRM5, GRIK5, CHRNA5 GABRA1 39/4885GABRG2 52/4885GABRB3 62/4885
US-12024525-B2 Benzodiazepine derivatives, compositions, and methods for treating cognitive impairment GRM5, GABRA5, GABRE GABRA1 5/4885GABRG2 24/4885GABRB3 15/4885
US-11312721-B2 Benzodiazepine derivatives, compositions, and methods for treating cognitive impairment GRM5, GABRA5, GABRE GABRA1 5/4885GABRG2 22/4885GABRB3 16/4885
US-20130237530-A1 BENZODIAZEPINE DERIVATIVES, COMPOSITIONS AND METHODS FOR TREATING COGNITIVE IMPAIRMENT GABRA5, GABRA3, GABRB3 GABRA1 6/4885GABRG2 12/4885GABRB3 3/4885
US-20230107032-A1 BENZODIAZEPINE DERIVATIVES, COMPOSITIONS, AND METHODS FOR TREATING COGNITIVE IMPAIRMENT GABRA5, GRM5, GABRA1 GABRA1 3/4885GABRG2 14/4885GABRB3 11/4885
US-11414425-B2 Benzodiazepine derivatives, compositions, and methods for treating cognitive impairment GABRA5, GRM5, GABRA1 GABRA1 3/4885GABRG2 14/4885GABRB3 11/4885
US-20230098667-A1 BENZODIAZEPINE DERIVATIVES, COMPOSITIONS, AND METHODS FOR TREATING COGNITIVE IMPAIRMENT GABRA5, GRM5, GABRA1 GABRA1 3/4885GABRG2 13/4885GABRB3 10/4885
US-11142529-B2 Benzodiazepine derivatives, compositions, and methods for treating cognitive impairment GRM5, GABRA5, GRM1 GABRA1 5/4885GABRG2 25/4885GABRB3 17/4885
US-20130237537-A1 METHOD OF TREATING CONDITIIONS WITH KINASE INHIBITORS CDK5, MAP3K1, ALDH1A2 GABRA1 3023/4885GABRG2 2641/4885GABRB3 2187/4885
US-20240132513-A1 BENZAZEPINE DERIVATIVES, COMPOSITIONS, AND METHODS FOR TREATING COGNITIVE IMPAIRMENT GABRA5, GRM5, GABRB1 GABRA1 6/4885GABRG2 20/4885GABRB3 7/4885
US-20230134844-A1 BENZODIAZEPINE DERIVATIVES, COMPOSITIONS, AND METHODS FOR TREATING COGNITIVE IMPAIRMENT GRM5, GABRA5, GABRE GABRA1 5/4885GABRG2 20/4885GABRB3 15/4885
US-20130237538-A1 KINASE INHIBITORS MAP3K1, MAP3K6, MAP3K2 GABRA1 3064/4885GABRG2 2308/4885GABRB3 2237/4885

“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.