SCHEMBL18003758

SCHEMBL18003758

O=Cc1cc(Cl)cc(-c2ccc(C(F)(F)F)nc2)c1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 2/20 0.39
▸ PI4KB Q9UBF8 2/20 0.39
▸ PIK3CD O00329 2/20 0.39
▸ PIK3CB P42338 1/20 0.39
▸ PI4KA P42356 1/20 0.39
▸ PIK3CG P48736 1/20 0.39
▸ CASP3 P42574 1/20 0.38
▸ MAP4K4 O95819 1/20 0.38
▸ KCNH2 Q12809 1/20 0.38
▸ MINK1 Q8N4C8 1/20 0.38
▸ TRPV4 Q9HBA0 1/20 0.38
▸ PDPK1 O15530 1/20 0.37
▸ METAP2 P50579 2/20 0.36
▸ PDE3B Q13370 1/20 0.36
▸ PDE3A Q14432 1/20 0.36
▸ CNR1 P21554 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
SCHEMBL16399058 0.83 PIK3CA (0.40) PIK3CAPI4KBPIK3CDPIK3CBPI4KA
SCHEMBL18003222 0.81 KCNH2 (0.39) PIK3CAPI4KBPIK3CDPIK3CBPI4KA
SCHEMBL18003722 0.81 PIK3CA (0.38) PIK3CAPI4KBPIK3CDPIK3CBPI4KA
SCHEMBL18003021 0.80 KIF11 (0.47) PIK3CAPI4KBPIK3CDPIK3CBPI4KA
SCHEMBL18003489 0.80 KCNH2 (0.38) PIK3CAPI4KBPIK3CDPIK3CBPI4KA
SCHEMBL16397962 0.79 DGAT1 (0.41) PIK3CAPI4KBPIK3CDPIK3CBPI4KA
SCHEMBL18003611 0.78 KCNH2 (0.37) PIK3CAPI4KBPIK3CDPIK3CBPI4KA
SCHEMBL18003162 0.78 RXRA (0.41) PIK3CAPI4KBPIK3CDPIK3CBPI4KA
SCHEMBL18003466 0.77 DAO (0.41) KCNH2TRPV4CNR1
SCHEMBL18003239 0.77 SYK (0.40) PIK3CAPI4KBPIK3CDPIK3CBPI4KA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 PIK3CA 1483/4885PI4KB 2516/4885PIK3CD 1890/4885
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS CS, PC, ACAT1 PIK3CA 1483/4885PI4KB 2516/4885PIK3CD 1890/4885

“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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