Sugi Predict

Sugi Predict / Compounds / SCHEMBL3138147

SCHEMBL3138147

SCHEMBL3138147

Cc1nnc2n1-c1ccc(C#CC(C)(C)C)cc1C(c1ccccc1Cl)=NC2

nearest known ligand 0.76

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ GABRA1 P14867 7/20 0.76
▸ GABRA5 P31644 7/20 0.76
▸ GABRA2 P47869 7/20 0.76
▸ GABRB2 P47870 6/20 0.76
▸ GABRA3 P34903 5/20 0.76
▸ OPRK1 P41145 2/20 0.69
▸ GABRG2 P18507 1/20 0.69
▸ HTR2A P28223 1/20 0.69
▸ GABRB3 P28472 1/20 0.69
▸ ADRA1A P35348 1/20 0.69
▸ PDE4D Q08499 1/20 0.69
▸ PTAFR P25105 11/20 0.69
▸ TSHR P16473 1/20 0.67
▸ HPGD P15428 2/20 0.59
▸ SMN1; SMN2 Q16637 1/20 0.59
▸ BRD4 O60885 1/20 0.53
▸ LMNA P02545 1/20 0.53
▸ CNR1 P21554 1/20 0.53

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
SCHEMBL7722603 0.87 GABRA1 (0.78) GABRA1GABRA5GABRA2GABRB2GABRA3
SCHEMBL3142799 0.87 GABRA1 (0.74) GABRA1GABRA5GABRA2GABRB2GABRA3
SCHEMBL7717650 0.87 GABRA1 (1.00) GABRA1GABRA5GABRA2GABRB2GABRA3
SCHEMBL9383941 0.83 GABRA1 (0.71) GABRA1GABRA5GABRA2GABRB2GABRA3
SCHEMBL9380286 0.82 PTAFR (0.86) GABRA1GABRA5GABRA2GABRB2GABRA3
Triazolam SCHEMBL29382425 0.82 GABRA1 (1.00) GABRA1GABRA5GABRA2GABRB2GABRA3
Triazolam SCHEMBL29368430 0.82 GABRA1 (1.00) GABRA1GABRA5GABRA2GABRB2GABRA3
Triazolam SCHEMBL29228 0.82 GABRA1 (1.00) GABRA1GABRA5GABRA2GABRB2GABRA3
Triazolam SCHEMBL29349744 0.82 GABRA1 (1.00) GABRA1GABRA5GABRA2GABRB2GABRA3
SCHEMBL13352295 0.82 GABRA1 (0.83) GABRA1GABRA5GABRA2GABRB2GABRA3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100004226-A1 STEREOSPECIFIC ANXIOLYTIC AND ANTICONVULSANT AGENTS WITH REDUCED MUSCLE-RELAXANT, SEDATIVE-HYPNOTIC AND ATAXIC EFFECTS COOK JAMES M 2010-01-07 — — US disclosed
US-7618958-B2 Convulsant disorders having the side effects of reduced alcohol craving in human alcoholics and a concomitant reduced sedative, hypnosis; Ethyl 8-bromo-6-phenyl-4H-benzo[f]imidazo[1,5-a][1,4]diazepine-3-carboxylate WISYS TECHNOLOGY FOUNDATION, INC. (US) 2009-11-17 — — US disclosed
US-20060003995-A1 Stereospecific anxiolytic and anticonvulsant agents with reduced muscle-relaxant, sedative-hypnotic and ataxic effects WISYS TECHNOLOGY FOUNDATION, INC. (US) 2006-01-05 — — 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 (2 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-20060003995-A1 Stereospecific anxiolytic and anticonvulsant agents with reduced muscle-relaxant, sedative-hypnotic and ataxic effects GABRE, GABRA6, GABRA5 GABRA1 4/4885GABRA5 3/4885GABRA2 9/4885
US-20100004226-A1 STEREOSPECIFIC ANXIOLYTIC AND ANTICONVULSANT AGENTS WITH REDUCED MUSCLE-RELAXANT, SEDATIVE-HYPNOTIC AND ATAXIC EFFECTS CHRNA6, GABRA6, CHRNA5 GABRA1 7/4885GABRA5 4/4885GABRA2 14/4885

“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.