SCHEMBL2644510

SCHEMBL2644510

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.45
KDM4E B2RXH2 3/20 0.45
TP53 P04637 2/20 0.45
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43
ALDH1A1 P00352 3/20 0.43
GAA P10253 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
POLB P06746 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
FYN P06241 1/20 0.39
NPC1 O15118 7/20 0.38
RAB9A P51151 6/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
NFKB1 P19838 1/20 0.38

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
SCHEMBL2645112 0.82 CYP11B2 (0.47) MAPTKDM4ETP53CYP11B1CYP11B2
SCHEMBL27957930 0.81 MAPT (0.61) MAPTKDM4ETP53ALDH1A1GAA
SCHEMBL2644505 0.78 RPS6KA3 (0.46) MAPTKDM4ETP53CYP11B1CYP11B2
SCHEMBL2645228 0.77 GABRG2 (0.56) MAPTKDM4ETP53CYP11B1CYP11B2
SCHEMBL2644139 0.77 CYP11B2 (0.49) MAPTKDM4ECYP11B1CYP11B2ALDH1A1
SCHEMBL2646012 0.77 GABRG2 (0.57) MAPTKDM4ETP53CYP11B1CYP11B2
SCHEMBL2644672 0.75 GABRG2 (0.43) MAPTCYP11B1CYP11B2ALDH1A1GAA
SCHEMBL2645882 0.74 CYP11B1 (0.50) KDM4ECYP11B1CYP11B2ALDH1A1KMT2A
SCHEMBL2644476 0.74 ALDH1A1 (0.76) MAPTTP53CYP11B1CYP11B2ALDH1A1
SCHEMBL2645021 0.73 DYRK1A (0.48) MAPTKDM4ETP53ALDH1A1POLB

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 MAPT 3135/4885KDM4E 3163/4885TP53 4847/4885

“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.