SCHEMBL5114621

SCHEMBL5114621

Clc1cc(-c2ccccc2)cnn1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 7/20 0.61
GABRB3 P28472 7/20 0.61
GABRA5 P31644 7/20 0.61
GABRA3 P34903 7/20 0.61
GABRA1 P14867 5/20 0.61
ALDH1A1 P00352 3/20 0.42
NPSR1 Q6W5P4 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
CYP1A2 P05177 1/20 0.41
MAP4K4 O95819 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
MEN1 O00255 1/20 0.39
HPGD P15428 1/20 0.39
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ATM Q13315 1/20 0.38
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
TNKS O95271 1/20 0.37
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL30072473 1.00 GABRG2 (0.61) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL21066163 0.86 GABRG2 (0.46) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL10536955 0.83 AHR (0.41) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL10538628 0.82 NOTUM (0.47) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL25220858 0.79 ESR1 (0.44) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL10535504 0.79 CYP11B2 (0.39) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL1691594 0.79 CYP11B2 (0.46) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL25273695 0.79 ALDH1A1 (0.44) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL30530583 0.79 CYP11B2 (0.46) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL5557974 0.79 ALDH1A1 (0.44) GABRG2GABRB3GABRA5GABRA3GABRA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0074863-B1 PYRIDAZINE DERIVATIVE ACTIVE ON THE CENTRAL NERVE SYSTEM SANOFI S.A. (FR) 1986-02-26 EP claimed
US-12637426-B2 1-cyano-pyrrolidine compounds as USP30 inhibitors MISSION THERAPEUTICS LIMITED (GB) 2026-05-26 US disclosed
US-20250353851-A1 PURINES AND METHODS OF THEIR USE KINETA INC (US) 2025-11-20 US disclosed
US-12297209-B2 Benzodiazepine derivatives as RSV inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2025-05-13 US disclosed
US-12268694-B2 Combination pharmaceutical agents as RSV inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2025-04-08 US disclosed
CN-119031913-A Purine and methods of use thereof 奇尼塔公司 2024-11-26 CN disclosed
US-20240383914-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE AND METHODS OF THEIR USE JANSSEN PHARMACEUTICA NV (BE) 2024-11-21 US disclosed
US-20240360155-A1 Benzodiazepine Derivatives as RSV Inhibitors ENANTA PHARM INC (US) 2024-10-31 US disclosed
EP-4444312-A2 PURINES AND METHODS OF THEIR USE Kineta, Inc. (US) 2024-10-16 EP disclosed
US-12065446-B2 Inhibitors of Bruton's tyrosine kinase and method of their use JANSSEN PHARMACEUTICA NV (BE) 2024-08-20 US disclosed
WO-2016156816-A1 1-CYANO-PYRROLIDINE COMPOUNDS AS USP30 INHIBITORS MISSION THERAPEUTICS LIMITED (GB) 2016-10-06 WO disclosed
WO-2016156816-A1 1-CYANO-PYRROLIDINE COMPOUNDS AS USP30 INHIBITORS MISSION THERAPEUTICS LIMITED (GB) 2016-10-06 WO disclosed
US-7442694-B2 Diazabicyclic compounds useful in the treatment of CNS and other disorders PFIZER INC (US) 2008-10-28 US disclosed
EP-1794135-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AND METHODS OF USE Amgen Inc. (US) 2007-06-13 EP disclosed
WO-2006037117-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2006-04-06 WO disclosed
US-20060069110-A1 Substituted heterocyclic compounds and methods of use AMGEN INC. 2006-03-30 US disclosed
EP-1551843-A1 DIAZABICYCLIC COMPOUNDS USEFUL IN THE TREATMENT OF CNS AND OTHER DISORDERS Pfizer Products Inc. (US) 2005-07-13 EP disclosed
US-20040106603-A1 Diazabicyclic compounds useful in the treatment of CNS and other disorders PFIZER INC 2004-06-03 US disclosed
WO-2004024729-A1 DIAZABICYCLIC COMPOUNDS USEFUL IN THE TREATMENT OF CNS AND OTHER DISORDERS PFIZER PRODUCTS INC. (US) 2004-03-25 WO disclosed
US-4810705-A BENZODIAZEPINE DERIVATIVE ANTAGONISTS SANOFI (FR) 1989-03-07 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 (9 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-12065446-B2 Inhibitors of Bruton's tyrosine kinase and method of their use ABL1, BTK, LYN GABRG2 772/4885GABRB3 865/4885GABRA5 1762/4885
US-20240360155-A1 Benzodiazepine Derivatives as RSV Inhibitors GABRA5, GABRA1, GABBR2 GABRG2 22/4885GABRB3 14/4885GABRA5 1/4885
US-20240383914-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE AND METHODS OF THEIR USE ABL1, BTK, MYLK2 GABRG2 910/4885GABRB3 983/4885GABRA5 2052/4885
US-12297209-B2 Benzodiazepine derivatives as RSV inhibitors GABRA5, GABRA1, GABBR2 GABRG2 22/4885GABRB3 14/4885GABRA5 1/4885
US-20060069110-A1 Substituted heterocyclic compounds and methods of use MAPT, MYLK2, IAPP GABRG2 4803/4885GABRB3 4104/4885GABRA5 4604/4885
US-12268694-B2 Combination pharmaceutical agents as RSV inhibitors ACE, ACE2, SPCS3 GABRG2 2504/4885GABRB3 2802/4885GABRA5 1940/4885
US-12637426-B2 1-cyano-pyrrolidine compounds as USP30 inhibitors USP30, USP1, USP10 GABRG2 3587/4885GABRB3 2521/4885GABRA5 3623/4885
US-20040106603-A1 Diazabicyclic compounds useful in the treatment of CNS and other disorders DBH, CHRNA6, DDT GABRG2 477/4885GABRB3 131/4885GABRA5 257/4885
US-20250353851-A1 PURINES AND METHODS OF THEIR USE TDP1, TDP2, PIKFYVE GABRG2 3450/4885GABRB3 2462/4885GABRA5 2680/4885

“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.