SCHEMBL16402774

SCHEMBL16402774

O=Cc1ccn(-c2cc(C(F)(F)F)ccc2C(F)(F)F)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 2/20 0.60
GRIA2 P42262 2/20 0.60
GRIA3 P42263 2/20 0.60
GRIA4 P48058 2/20 0.60
CES2 O00748 2/20 0.38
KIF11 P52732 1/20 0.38
ALDH1A1 P00352 2/20 0.36
PKM P14618 1/20 0.36
FFAR4 Q5NUL3 1/20 0.36
P2RX4 Q99571 1/20 0.33
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HSP90AA1 P07900 2/20 0.32
MEN1 O00255 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
MAPT P10636 1/20 0.32
CYP2C9 P11712 1/20 0.32
TSHR P16473 1/20 0.32
NFKB1 P19838 1/20 0.32

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
SCHEMBL17802298 0.80 GRIA1 (0.57) GRIA1GRIA2GRIA3GRIA4KIF11
SCHEMBL4118733 0.76 GRIA1 (0.46) GRIA1GRIA2GRIA3GRIA4CES2
SCHEMBL1410369 0.75 GRIA1 (0.48) GRIA1GRIA2GRIA3GRIA4CES2
SCHEMBL8184247 0.74 GRIA1 (0.54) GRIA1GRIA2GRIA3GRIA4KIF11
SCHEMBL28876830 0.74 ALDH1A1 (0.62) GRIA1GRIA2GRIA3GRIA4CES2
SCHEMBL18003321 0.72 GRIA1 (0.46) GRIA1GRIA2GRIA3GRIA4KIF11
SCHEMBL9705638 0.72 GRIA1 (0.45) GRIA1GRIA2GRIA3GRIA4
SCHEMBL4922867 0.71 GRIA1 (0.44) GRIA1GRIA2GRIA3GRIA4ALDH1A1
SCHEMBL29935776 0.69 KIF11 (0.49) GRIA1GRIA2GRIA3GRIA4KIF11
SCHEMBL2749018 0.69 ALDH1A1 (0.40) GRIA1GRIA2GRIA3GRIA4CES2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4570313-A2 CYANOTRIAZOLE COMPOUNDS Otsuka Pharmaceutical Co., Ltd. (JP) 2025-06-18 EP disclosed
EP-4219477-A1 CYANOTRIAZOLE COMPOUNDS Otsuka Pharmaceutical Co., Ltd. (JP) 2023-08-02 EP disclosed
US-10626095-B2 Cyanotriazole compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2020-04-21 US disclosed
CN-105408325-B cyanotriazole compounds 大塚制药株式会社 2019-10-22 CN disclosed
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2016-08-11 US disclosed
EP-3022199-A1 CYANOTRIAZOLE COMPOUNDS Otsuka Pharmaceutical Co., Ltd. (JP) 2016-05-25 EP disclosed
WO-2015008872-A1 CYANOTRIAZOLE COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-01-22 WO 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 GRIA1 744/4885GRIA2 1025/4885GRIA3 1327/4885
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS CS, PC, ACAT1 GRIA1 744/4885GRIA2 1025/4885GRIA3 1327/4885

“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.