SCHEMBL16399585

SCHEMBL16399585

CC(C)Oc1ccc(C=O)cc1-c1ccc(C(F)(F)F)nc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE10A Q9Y233 1/20 0.41
▸ MAP4K4 O95819 1/20 0.40
▸ PIK3CA P42336 1/20 0.40
▸ KCNH2 Q12809 1/20 0.40
▸ MINK1 Q8N4C8 1/20 0.40
▸ PI4KB Q9UBF8 1/20 0.40
▸ TRPV3 Q8NET8 6/20 0.40
▸ ABL1 P00519 1/20 0.38
▸ PTGES O14684 1/20 0.38
▸ SYK P43405 1/20 0.38
▸ PTGS2 P35354 2/20 0.37
▸ PTGS1 P23219 1/20 0.37
▸ AKR1C3 P42330 1/20 0.37
▸ AKR1C2 P52895 1/20 0.37
▸ RXRA P19793 1/20 0.37
▸ RXRB P28702 1/20 0.37
▸ RXRG P48443 1/20 0.37
▸ ALDH1A3 P47895 1/20 0.36
▸ KDM5B Q9UGL1 1/20 0.36
▸ DRD1 P21728 1/20 0.36

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
SCHEMBL18003590 0.91 PDE10A (0.41) PDE10AMAP4K4PIK3CAKCNH2MINK1
SCHEMBL18003894 0.84 ALDH1A1 (0.47) PDE10AMAP4K4PIK3CAKCNH2MINK1
SCHEMBL26070196 0.82 PTGS2 (0.37) PDE10AMAP4K4PIK3CAKCNH2MINK1
SCHEMBL18003244 0.81 PIK3CA (0.41) PDE10AMAP4K4PIK3CAKCNH2MINK1
SCHEMBL18003899 0.78 SYK (0.45) PDE10AMAP4K4PIK3CAKCNH2MINK1
SCHEMBL18003239 0.77 SYK (0.40) PDE10AMAP4K4PIK3CAKCNH2MINK1
SCHEMBL18003592 0.77 ALDH1A1 (0.50) PDE10AMAP4K4PIK3CAKCNH2MINK1
SCHEMBL18003304 0.74 TRPV3 (0.40) PDE10AMAP4K4PIK3CAKCNH2MINK1
SCHEMBL18003021 0.73 KIF11 (0.47) PDE10AMAP4K4PIK3CAKCNH2MINK1
SCHEMBL23715865 0.72 RXRA (0.49) KCNH2AKR1C3AKR1C2RXRARXRB

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 6 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
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 PDE10A 2294/4885MAP4K4 956/4885PIK3CA 1483/4885
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS CS, PC, ACAT1 PDE10A 2294/4885MAP4K4 956/4885PIK3CA 1483/4885

“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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