SCHEMBL18006162

SCHEMBL18006162

COc1ccccc1-c1ccc(-c2nn[nH]c2C#N)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.50
ADORA2A P29274 1/20 0.45
ADORA1 P30542 1/20 0.45
FYN P06241 1/20 0.44
SQOR Q9Y6N5 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
PGR P06401 1/20 0.43
AR P10275 1/20 0.43
NAAA Q02083 1/20 0.43
HTT P42858 1/20 0.43
PDE10A Q9Y233 2/20 0.42
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
GRIA2 P42262 1/20 0.40
GRIA4 P48058 1/20 0.40
KCNN4 O15554 1/20 0.39
AVPR2 P30518 1/20 0.39
OXTR P30559 1/20 0.39

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
SCHEMBL21843231 0.89 ALDH1A1 (0.46) XDHADORA2AADORA1FYNSQOR
SCHEMBL18006051 0.88 HTR7 (0.47) XDHADORA2AADORA1SQORNPSR1
SCHEMBL18006133 0.84 PTGS2 (0.43) XDHARALDH1A1MEN1KMT2A
SCHEMBL18004145 0.83 ERBB2 (0.40) ADORA2AADORA1HTTALDH1A1KDM4E
SCHEMBL18006158 0.82 AR (0.40) ARALDH1A1LMNAGAAGRIA2
SCHEMBL17969189 0.80 ADORA1 (0.49) XDHADORA2AADORA1HTTALDH1A1
SCHEMBL17969110 0.80 MGAM (0.42) ADORA2ANPSR1NAAAHTTALDH1A1
SCHEMBL18006083 0.80 ALDH1A1 (0.46) ALDH1A1KDM4EGAAMEN1KMT2A
SCHEMBL17969125 0.79 ALDH1A1 (0.48) ALDH1A1KDM4EGAAMEN1KMT2A
SCHEMBL18006085 0.79 ADORA1 (0.42) ADORA2AADORA1PDE10AALDH1A1KDM4E

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-10626095-B2 Cyanotriazole compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2020-04-21 US disclosed
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2016-08-11 US disclosed
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2016-08-11 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 (2 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-10626095-B2 Cyanotriazole compounds CS, PC, ACAT1 XDH 1547/4885ADORA2A 3683/4885ADORA1 3010/4885
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS CS, PC, ACAT1 XDH 1547/4885ADORA2A 3683/4885ADORA1 3010/4885

“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.