SCHEMBL18004263

SCHEMBL18004263

N#Cc1[nH]nnc1-c1cc(C(F)(F)F)ccc1-c1cccc(OC(F)(F)F)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ USP7 Q93009 1/20 0.44
▸ ADORA1 P30542 3/20 0.43
▸ ADORA2A P29274 1/20 0.43
▸ CTSS P25774 1/20 0.40
▸ CTSK P43235 1/20 0.40
▸ XDH P47989 1/20 0.38
▸ FNTA P49354 3/20 0.37
▸ FNTB P49356 3/20 0.37
▸ PGGT1B P53609 3/20 0.37
▸ KDM5A P29375 1/20 0.36
▸ TRPA1 O75762 2/20 0.36
▸ PIM1 P11309 2/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ SCN5A Q14524 1/20 0.36
▸ SCN9A Q15858 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ PIM2 Q9P1W9 1/20 0.36
▸ PIM3 Q86V86 1/20 0.36
▸ PDE4A P27815 1/20 0.35

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
SCHEMBL18004259 0.88 TRPA1 (0.40) ADORA1FNTAFNTBPGGT1BTRPA1
SCHEMBL18004153 0.84 SMN1; SMN2 (0.41) ADORA1ADORA2ACTSSCTSKKDM4E
SCHEMBL18003762 0.83 USP7 (0.45) USP7ADORA1ADORA2ACTSSCTSK
SCHEMBL18006151 0.82 USP7 (0.53) USP7ADORA1ADORA2ACTSSCTSK
SCHEMBL18004152 0.82 BTK (0.42) KDM4ESCN9AMAPTL3MBTL1SMN1; SMN2
SCHEMBL18004370 0.82 KIF11 (0.40) CTSSCTSKXDHTRPA1MAPT
SCHEMBL26070334 0.82 USP7 (0.36) USP7ADORA1ADORA2AXDHPIM1
SCHEMBL18004248 0.81 USP7 (0.49) USP7ADORA1ADORA2ACTSSCTSK
SCHEMBL18004266 0.81 CTSS (0.36) CTSSCTSKXDH
SCHEMBL18004276 0.81 USP7 (0.41) USP7ADORA1ADORA2ACTSSCTSK

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 3039/4885ADORA1 3010/4885ADORA2A 3683/4885
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS CS, PC, ACAT1 USP7 3039/4885ADORA1 3010/4885ADORA2A 3683/4885

“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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