SCHEMBL18004388

SCHEMBL18004388

N#Cc1[nH]nnc1-c1ccc(-c2cccc(OC(F)(F)C(F)F)c2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ USP7 Q93009 1/20 0.40
▸ CETP P11597 3/20 0.38
▸ PGR P06401 1/20 0.36
▸ AR P10275 1/20 0.36
▸ TRPA1 O75762 2/20 0.36
▸ SCN5A Q14524 1/20 0.36
▸ SCN9A Q15858 1/20 0.36
▸ CTSS P25774 1/20 0.36
▸ CTSK P43235 1/20 0.36
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ KDM5A P29375 1/20 0.35
▸ ADORA2A P29274 1/20 0.34
▸ ADORA1 P30542 1/20 0.34
▸ DRD1 P21728 1/20 0.34
▸ ABL1 P00519 2/20 0.34
▸ BCR P11274 2/20 0.34
▸ PRKCA P17252 2/20 0.34
▸ TGFBR1 P36897 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
SCHEMBL18003999 0.94 USP7 (0.44) USP7CETPTRPA1SCN9ACTSS
SCHEMBL18004248 0.90 USP7 (0.49) USP7PGRARTRPA1SCN5A
SCHEMBL18004064 0.89 USP7 (0.37) USP7CETPPGRARSCN9A
SCHEMBL18006151 0.83 USP7 (0.53) USP7TRPA1SCN5ASCN9ACTSS
SCHEMBL18004376 0.82 TRPA1 (0.40) USP7PGRTRPA1SCN5ASCN9A
SCHEMBL18003861 0.81 USP7 (0.48) USP7PGRTRPA1SCN5ASCN9A
SCHEMBL18004359 0.81 USP7 (0.44) USP7TRPA1SCN5ASCN9ACTSS
SCHEMBL18006111 0.81 XDH (0.51) PGRARADORA2AADORA1ABL1
SCHEMBL26070759 0.81 XDH (0.36) USP7PGRARADORA2AADORA1
SCHEMBL18004354 0.81 USP7 (0.44) USP7TRPA1SCN5ASCN9ACTSS

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 USP7 3039/4885CETP 478/4885PGR 4495/4885
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS CS, PC, ACAT1 USP7 3039/4885CETP 478/4885PGR 4495/4885

“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.

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