Sugi Predict

Sugi Predict / Compounds / SCHEMBL2683440

SCHEMBL2683440

SCHEMBL2683440

Cc1nc(C=Cc2c(-c3ccccn3)nnn2C)sc1C(=O)NC(C)C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ GABRA5 P31644 8/20 1.00
▸ KDM4E B2RXH2 3/20 0.43
▸ GAA P10253 1/20 0.43
▸ ALDH1A1 P00352 2/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ LMNA P02545 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ RAB9A P51151 1/20 0.36
▸ TRPV4 Q9HBA0 1/20 0.35
▸ ALOX15 P16050 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ CASP1 P29466 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ ADORA3 P0DMS8 1/20 0.33
▸ CSNK1D P48730 1/20 0.33
▸ CSNK1E P49674 1/20 0.33

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
SCHEMBL2683436 1.00 GABRA5 (1.00) GABRA5KDM4EGAAALDH1A1KMT2A
SCHEMBL16290026 0.88 GABRA5 (0.78) GABRA5KDM4EGAAALDH1A1KMT2A
SCHEMBL2684684 0.88 GABRA5 (0.78) GABRA5KDM4EGAAALDH1A1KMT2A
SCHEMBL2684687 0.88 GABRA5 (0.78) GABRA5KDM4EGAAALDH1A1KMT2A
SCHEMBL2683458 0.86 GABRA5 (0.76) GABRA5KDM4EGAAALDH1A1KMT2A
SCHEMBL4410068 0.83 GABRA5 (1.00) GABRA5KDM4EGAAALDH1A1LMNA
SCHEMBL2683793 0.81 GABRA5 (1.00) GABRA5KDM4EALDH1A1KMT2AMAPT
SCHEMBL2683802 0.81 GABRA5 (1.00) GABRA5KDM4EALDH1A1KMT2AMAPT
SCHEMBL16290095 0.74 GABRA5 (0.76) GABRA5KDM4EALDH1A1HPGDRAB9A
SCHEMBL2685719 0.70 GABRA5 (1.00) GABRA5LMNAMAPTHPGDRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2638035-B1 Triazole derivatives as ligands for Gaba receptors HOFFMANN LA ROCHE (CH) 2014-12-17 — — EP claimed
US-8697696-B2 Triazole compounds II ROCHE PALO ALTO LLC (US) 2014-04-15 — — US claimed
EP-2638035-A1 TRIAZOLE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS F.HOFFMANN-LA ROCHE AG (CH) 2013-09-18 — — EP claimed
WO-2012062623-A1 TRIAZOLE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS F. HOFFMANN-LA ROCHE AG (CH) 2012-05-18 — — WO claimed
US-20120115868-A1 NOVEL TRIAZOLE COMPOUNDS II ROCHE PALO ALTO LLC 2012-05-10 — — US claimed
EP-2638035-B1 Triazole derivatives as ligands for Gaba receptors HOFFMANN LA ROCHE (CH) 2014-12-17 — — EP disclosed
US-8697696-B2 Triazole compounds II ROCHE PALO ALTO LLC (US) 2014-04-15 — — US disclosed
EP-2638035-A1 TRIAZOLE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS F.HOFFMANN-LA ROCHE AG (CH) 2013-09-18 — — EP disclosed
WO-2012062623-A1 TRIAZOLE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS F. HOFFMANN-LA ROCHE AG (CH) 2012-05-18 — — WO disclosed
US-20120115868-A1 NOVEL TRIAZOLE COMPOUNDS II ROCHE PALO ALTO LLC 2012-05-10 — — 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 (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-20120115868-A1 NOVEL TRIAZOLE COMPOUNDS II GABRA5, GABRA1, GABRA3 GABRA5 1/4885KDM4E 1548/4885GAA 1710/4885

“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.