SCHEMBL17172244

SCHEMBL17172244

CC(C)(C)C(O)(c1cncnc1)c1ccc(-c2ccc(C(F)(F)F)nc2)cn1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 2/20 0.39
▸ PI4KB Q9UBF8 2/20 0.39
▸ PIK3CD O00329 1/20 0.39
▸ PIK3CB P42338 1/20 0.39
▸ PI4KA P42356 1/20 0.39
▸ PIK3CG P48736 1/20 0.39
▸ CYP19A1 P11511 5/20 0.39
▸ MAP4K4 O95819 1/20 0.38
▸ KCNH2 Q12809 1/20 0.38
▸ MINK1 Q8N4C8 1/20 0.38
▸ TRPV4 Q9HBA0 1/20 0.38
▸ TRPV3 Q8NET8 9/20 0.37
▸ PDE10A Q9Y233 1/20 0.36
▸ MTOR P42345 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
SCHEMBL17171871 0.92 CYP19A1 (0.40) PIK3CAPI4KBPIK3CDPIK3CBPI4KA
SCHEMBL17172235 0.92 CYP19A1 (0.47) PIK3CAPI4KBCYP19A1MAP4K4KCNH2
SCHEMBL17172248 0.90 CYP19A1 (0.37) CYP19A1
SCHEMBL17157445 0.89 CYP19A1 (0.38) PIK3CAPI4KBCYP19A1MAP4K4KCNH2
SCHEMBL17172250 0.87 CYP19A1 (0.46) CYP19A1KCNH2
SCHEMBL17157418 0.86 NR1H2 (0.34) CYP19A1
SCHEMBL17157462 0.86 L3MBTL1 (0.41) TRPV3
SCHEMBL20609623 0.86 KCNH2 (0.38) PIK3CAPI4KBPIK3CDPIK3CBPI4KA
SCHEMBL17171966 0.86 PIK3CA (0.39) PIK3CAPI4KBPIK3CDPIK3CBPI4KA
SCHEMBL17172208 0.86 CYP19A1 (0.47) CYP19A1

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
US-10167300-B2 Metalloenzyme inhibitor compounds as fungicides DOW AGROSCIENCES LLC (US) 2019-01-01 — — US disclosed
US-9944664-B2 Metalloenzyme inhibitor compounds as fungicides DOW AGROSCIENCES LLC (US) 2018-04-17 — — US disclosed
US-9944664-B2 Metalloenzyme inhibitor compounds as fungicides DOW AGROSCIENCES LLC (US) 2018-04-17 — — US disclosed
WO-2015160665-A1 METALLOENZYME INHIBITOR COMPOUNDS AS FUNGICIDES DOW AGROSCIENCES LLC (US) 2015-10-22 — — WO disclosed
US-20150291632-A1 METALLOENZYME INHIBITOR COMPOUNDS AS FUNGICIDES DOW AGROSCIENCES LLC 2015-10-15 — — US disclosed
US-20150291632-A1 METALLOENZYME INHIBITOR COMPOUNDS AS FUNGICIDES DOW AGROSCIENCES LLC 2015-10-15 — — 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-10167300-B2 Metalloenzyme inhibitor compounds as fungicides GPX1, POR, MGAM PIK3CA 4075/4885PI4KB 3497/4885PIK3CD 4117/4885
US-20150291632-A1 METALLOENZYME INHIBITOR COMPOUNDS AS FUNGICIDES GPX1, POR, MGAM PIK3CA 4075/4885PI4KB 3497/4885PIK3CD 4117/4885

“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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