SCHEMBL2686997

SCHEMBL2686997

Cn1nnc(-c2ccc(F)cc2)c1/C=C/c1ccc(C(=O)O)cn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 6/20 0.48
BCL2L1 Q07817 1/20 0.39
BAD Q92934 1/20 0.39
PTGER4 P35408 2/20 0.38
KDM4A O75164 1/20 0.37
KDM5A P29375 1/20 0.37
KDM4C Q9H3R0 1/20 0.37
KDM5B Q9UGL1 1/20 0.37
LDHA P00338 2/20 0.37
CSNK1D P48730 1/20 0.37
MAPK14 Q16539 1/20 0.37
MAP4K4 O95819 1/20 0.36
NPC1 O15118 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
CSNK2A2 P19784 2/20 0.36
CSNK2A1 P68400 1/20 0.36
GCK P35557 1/20 0.35
HCAR3 P49019 1/20 0.35
CSNK2B P67870 1/20 0.35
HPGD P15428 1/20 0.34

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
SCHEMBL2687002 1.00 GABRA5 (0.48) GABRA5BCL2L1BADPTGER4KDM4A
SCHEMBL2687524 0.88 GABRA5 (0.50) GABRA5MAPK14NPC1HPGD
SCHEMBL2687519 0.88 GABRA5 (0.50) GABRA5MAPK14NPC1HPGD
SCHEMBL2687504 0.85 GABRA5 (0.62) GABRA5PTGER4
SCHEMBL2687502 0.85 GABRA5 (0.62) GABRA5PTGER4
SCHEMBL2689993 0.80 GABRA5 (0.65) GABRA5
SCHEMBL2689988 0.80 GABRA5 (0.65) GABRA5
SCHEMBL2686909 0.76 GABRA5 (0.59) GABRA5
SCHEMBL2689401 0.74 GABRA5 (0.40) GABRA5BCL2L1BADPTGER4KDM4A
SCHEMBL26643229 0.73 HTR2A (0.55) GABRA5BCL2L1BADNPC1GCK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2638029-B1 TRIAZOLE DERIVATIVES AND THEIR USE FOR NEUROLOGICAL DISORDERS HOFFMANN LA ROCHE (CH) 2014-09-24 EP disclosed
US-8742097-B2 Triazole compounds I HOFFMANN-LA ROCHE INC. (US) 2014-06-03 US disclosed
EP-2638029-A1 TRIAZOLE DERIVATIVES AND THEIR USE FOR NEUROLOGICAL DISORDERS F.HOFFMANN-LA ROCHE AG (CH) 2013-09-18 EP disclosed
CN-103221402-A Triazole derivatives and their use for neurological disorders HOFFMANN LA ROCHE 2013-07-24 CN disclosed
WO-2012062687-A1 TRIAZOLE DERIVATIVES AND THEIR USE FOR NEUROLOGICAL DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2012-05-18 WO disclosed
US-20120115844-A1 NOVEL TRIAZOLE COMPOUNDS I 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-20120115844-A1 NOVEL TRIAZOLE COMPOUNDS I GABRA5, GABRA3, GABRA1 GABRA5 1/4885BCL2L1 4111/4885BAD 1719/4885

“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.