SCHEMBL2645112

SCHEMBL2645112

COc1ccc(-c2nncc(-c3ccc(F)c(C(F)(F)F)c3)n2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 5/20 0.47
CYP11B1 P15538 4/20 0.47
F2RL3 Q96RI0 1/20 0.46
MPL P40238 2/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP1A2 P05177 1/20 0.44
GAA P10253 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
KDM4E B2RXH2 2/20 0.43
TP53 P04637 2/20 0.43
MAPT P10636 1/20 0.43
PGR P06401 1/20 0.41
AR P10275 1/20 0.41
GRIN1 Q05586 1/20 0.41
GRIN2B Q13224 1/20 0.41
RPS6KB1 P23443 1/20 0.41
AKT1 P31749 1/20 0.41
KMO O15229 2/20 0.40
CTSS P25774 1/20 0.40

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
SCHEMBL2644510 0.82 MAPT (0.45) CYP11B2CYP11B1ALDH1A1CYP1A2GAA
SCHEMBL27957930 0.79 MAPT (0.61) ALDH1A1GAAKDM4ETP53MAPT
SCHEMBL2645021 0.77 DYRK1A (0.48) ALDH1A1KDM4ETP53MAPTCTSS
SCHEMBL2644505 0.76 RPS6KA3 (0.46) CYP11B2CYP11B1ALDH1A1CYP1A2GAA
SCHEMBL2644388 0.76 MPL (0.45) CYP11B2CYP11B1F2RL3MPLALDH1A1
SCHEMBL2645228 0.75 GABRG2 (0.56) CYP11B2CYP11B1ALDH1A1CYP1A2GAA
SCHEMBL2644139 0.75 CYP11B2 (0.49) CYP11B2CYP11B1ALDH1A1CYP1A2CYP2C9
SCHEMBL2646012 0.75 GABRG2 (0.57) CYP11B2CYP11B1ALDH1A1KDM4ETP53
SCHEMBL2645882 0.72 CYP11B1 (0.50) CYP11B2CYP11B1ALDH1A1KDM4E
SCHEMBL756255 0.71 PTPN7 (0.50) CYP11B2CYP11B1PGRARGRIN1

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-20040192692-A1 5-Phenyl[1,2,4]triazines as ligands for GABA-A alpha2/alpha3 receptors for treating anxiety or depression MERCK SHARP & DOHME, LTD. (GB) 2004-09-30 US claimed
US-6969716-B2 5-phenyl[1,2,4]triazines as ligands for GABA-A α2/α3 receptors for treating anxiety or depression MERCK SHARP & DOHME LTD. 2005-11-29 US disclosed
US-20040192692-A1 5-Phenyl[1,2,4]triazines as ligands for GABA-A alpha2/alpha3 receptors for treating anxiety or depression MERCK SHARP & DOHME, LTD. (GB) 2004-09-30 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-20040192692-A1 5-Phenyl[1,2,4]triazines as ligands for GABA-A alpha2/alpha3 receptors for treating anxiety or depression GABRA1, GABRA5, GABRA2 CYP11B2 400/4885CYP11B1 409/4885F2RL3 2159/4885

“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.