SCHEMBL2874506

SCHEMBL2874506

C#Cc1ccc2c(c1)C(c1ccccc1F)=NCc1nnc(C)n1-2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 9/20 1.00
GABRA5 P31644 9/20 1.00
GABRA2 P47869 9/20 1.00
GABRB2 P47870 8/20 1.00
GABRA3 P34903 7/20 0.79
PTAFR P25105 9/20 0.72
OPRK1 P41145 2/20 0.59
GABRG2 P18507 2/20 0.59
GABRB3 P28472 2/20 0.59
HTR2A P28223 1/20 0.59
ADRA1A P35348 1/20 0.59
PDE4D Q08499 1/20 0.59
TSHR P16473 1/20 0.57
HPGD P15428 2/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
BRD4 O60885 1/20 0.52
LMNA P02545 1/20 0.52
CNR1 P21554 1/20 0.52

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
SCHEMBL7724655 0.89 GABRA1 (0.82) GABRA1GABRA5GABRA2GABRB2GABRA3
SCHEMBL16063031 0.88 GABRA1 (0.79) GABRA1GABRA5GABRA2GABRB2GABRA3
SCHEMBL7717650 0.88 GABRA1 (1.00) GABRA1GABRA5GABRA2GABRB2GABRA3
SCHEMBL2840521 0.87 GABRA1 (0.76) GABRA1GABRA5GABRA2GABRB2GABRA3
SCHEMBL2843952 0.86 GABRA1 (1.00) GABRA1GABRA5GABRA2GABRB2GABRA3
SCHEMBL14282558 0.85 PTAFR (0.79) GABRA1GABRA5GABRA2GABRB2GABRA3
SCHEMBL11620188 0.85 PTAFR (0.79) GABRA1GABRA5GABRA2GABRB2GABRA3
SCHEMBL9379331 0.85 GABRA1 (0.74) GABRA1GABRA5GABRA2GABRB2GABRA3
SCHEMBL11730100 0.84 PTAFR (0.76) GABRA1GABRA5GABRA2GABRB2GABRA3
SCHEMBL2841164 0.84 GABRA1 (0.76) 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 39 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE47475-E1 Selective agents for pain suppression WISYS TECHNOLOGY FOUNDATION, INC. (US) 2019-07-02 US disclosed
US-RE47475-E1 Selective agents for pain suppression WISYS TECHNOLOGY FOUNDATION, INC. (US) 2019-07-02 US disclosed
US-8835424-B2 Selective agents for pain suppression WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2014-09-16 US disclosed
US-8835424-B2 Selective agents for pain suppression WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2014-09-16 US disclosed
US-8835424-B2 Selective agents for pain suppression WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2014-09-16 US disclosed
US-20100317619-A1 Selective Agents for Pain Suppression COOK JAMES 2010-12-16 US disclosed
US-20100317619-A1 Selective Agents for Pain Suppression COOK JAMES 2010-12-16 US disclosed
US-20100317619-A1 Selective Agents for Pain Suppression COOK JAMES 2010-12-16 US disclosed
US-20100261711-A1 SELECTIVE ANTICONVULSANT AGENTS AND THEIR USES WISYS TECHNOLOGY FOUNDATION (US) 2010-10-14 US disclosed
US-20100261711-A1 SELECTIVE ANTICONVULSANT AGENTS AND THEIR USES WISYS TECHNOLOGY FOUNDATION (US) 2010-10-14 US disclosed
US-20070049580-A1 ANXIOLYTIC AGENTS WITH REDUCED SEDATIVE AND ATAXIC EFFECTS WISYS TECHNOLOGY FOUNDATION, INC. (US) 2007-03-01 US disclosed
US-20070049580-A1 ANXIOLYTIC AGENTS WITH REDUCED SEDATIVE AND ATAXIC EFFECTS WISYS TECHNOLOGY FOUNDATION, INC. (US) 2007-03-01 US disclosed
US-20070049580-A1 ANXIOLYTIC AGENTS WITH REDUCED SEDATIVE AND ATAXIC EFFECTS WISYS TECHNOLOGY FOUNDATION, INC. (US) 2007-03-01 US disclosed
US-7119196-B2 Anxiolytic agents with reduced sedative and ataxic effects WISYS TECHNOLOGY FOUNDATION, INC. (US) 2006-10-10 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
US-20040082573-A1 Anxiolytic agents with reduced sedative and ataxic effects NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2004-04-29 US disclosed
WO-2003082832-A2 ANXIOLYTIC AGENTS WITH REDUCED SEDATIVE AND ATAXIC EFFECTS WISYS TECHNOLOGY FOUNDATION, INC. (US) 2003-10-09 WO disclosed
EP-0320992-B1 Triazolodiazepine derivatives HOFFMANN LA ROCHE (CH) 1994-07-27 EP disclosed
US-4959361-A Triazolo(4,3-A)(1,4)benzodiazepines and thieno (3,2-F)(1,2,4)triazolo(4,3-A)(1,4)diazepine compounds which have useful activity as platelet activating factor (PAF) antagonists HOFFMANN-LA ROCHE INC. (US) 1990-09-25 US disclosed
EP-0320992-A2 Triazolodiazepine derivatives F. HOFFMANN-LA ROCHE AG (CH) 1989-06-21 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 (5 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-20070049580-A1 ANXIOLYTIC AGENTS WITH REDUCED SEDATIVE AND ATAXIC EFFECTS GABRA3, GABRA2, GABRA1 GABRA1 3/4885GABRA5 6/4885GABRA2 2/4885
US-20100317619-A1 Selective Agents for Pain Suppression CNR2, CNR1, OPRL1 GABRA1 12/4885GABRA5 5/4885GABRA2 9/4885
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-20040082573-A1 Anxiolytic agents with reduced sedative and ataxic effects GABRA3, GABRA2, GABRA1 GABRA1 3/4885GABRA5 6/4885GABRA2 2/4885
US-20100261711-A1 SELECTIVE ANTICONVULSANT AGENTS AND THEIR USES GABRA5, GABRA6, GABRA2 GABRA1 4/4885GABRA5 1/4885GABRA2 3/4885

“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.