SCHEMBL18003222

SCHEMBL18003222

CC(C)(C)c1cc(C=O)cc(-c2ccc(C(F)(F)F)nc2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 3/20 0.39
▸ PIK3CA P42336 2/20 0.39
▸ PI4KB Q9UBF8 2/20 0.39
▸ MAP4K4 O95819 1/20 0.39
▸ MINK1 Q8N4C8 1/20 0.39
▸ PIK3CD O00329 1/20 0.38
▸ PIK3CB P42338 1/20 0.38
▸ PI4KA P42356 1/20 0.38
▸ PIK3CG P48736 1/20 0.38
▸ XIAP P98170 1/20 0.36
▸ BIRC2 Q13490 1/20 0.36
▸ TRPV4 Q9HBA0 1/20 0.36
▸ PDE10A Q9Y233 1/20 0.35
▸ CA12 O43570 1/20 0.34
▸ CA9 Q16790 1/20 0.34
▸ RXRA P19793 1/20 0.34
▸ RXRB P28702 1/20 0.34
▸ RXRG P48443 1/20 0.34
▸ PDPK1 O15530 2/20 0.34
▸ TRPV3 Q8NET8 2/20 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
SCHEMBL16399058 0.83 PIK3CA (0.40) KCNH2PIK3CAPI4KBMAP4K4MINK1
SCHEMBL18003758 0.81 PIK3CA (0.39) KCNH2PIK3CAPI4KBMAP4K4MINK1
SCHEMBL16903674 0.80 PIK3CA (0.41) KCNH2PIK3CAPI4KBMAP4K4MINK1
SCHEMBL18003489 0.80 KCNH2 (0.38) KCNH2PIK3CAPI4KBMAP4K4MINK1
SCHEMBL18003722 0.78 PIK3CA (0.38) KCNH2PIK3CAPI4KBMAP4K4MINK1
SCHEMBL18003611 0.78 KCNH2 (0.37) KCNH2PIK3CAPI4KBMAP4K4MINK1
SCHEMBL18003162 0.78 RXRA (0.41) KCNH2PIK3CAPI4KBMAP4K4MINK1
SCHEMBL18003021 0.78 KIF11 (0.47) KCNH2PIK3CAPI4KBMAP4K4MINK1
SCHEMBL18003239 0.77 SYK (0.40) KCNH2PIK3CAPI4KBMAP4K4MINK1
SCHEMBL18003140 0.77 PDE10A (0.37) KCNH2PIK3CAPI4KBMAP4K4MINK1

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 KCNH2 2427/4885PIK3CA 1483/4885PI4KB 2516/4885
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS CS, PC, ACAT1 KCNH2 2427/4885PIK3CA 1483/4885PI4KB 2516/4885

“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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