SCHEMBL7129326

SCHEMBL7129326

OCCN1N=C(c2cccc(O)c2)CC1c1ccccn1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PRKCZ Q05513 4/20 0.46
▸ KIF11 P52732 1/20 0.40
▸ BRAF P15056 2/20 0.39
▸ NR3C2 P08235 1/20 0.39
▸ PIK3CA P42336 3/20 0.36
▸ PDK1 Q15118 1/20 0.36
▸ PDK2 Q15119 1/20 0.36
▸ PDK3 Q15120 1/20 0.36
▸ PDK4 Q16654 1/20 0.36
▸ NPEPPS P55786 1/20 0.36
▸ PIK3CB P42338 2/20 0.35
▸ PIK3CG P48736 2/20 0.35
▸ MAOB P27338 3/20 0.35
▸ HSD17B1 P14061 1/20 0.35
▸ HSD17B2 P37059 1/20 0.35
▸ MAOA P21397 1/20 0.34
▸ BCHE P06276 1/20 0.34
▸ ACHE P22303 1/20 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
SCHEMBL7127148 0.69 ESD (0.49) PRKCZKIF11
SCHEMBL7456837 0.68 MAOB (0.73) PRKCZKIF11MAOBMAOA
SCHEMBL6294120 0.67 MEN1 (0.42) PRKCZNR3C2MAOBMAOA
SCHEMBL7131258 0.65 MAOA (0.48) PRKCZMAOBMAOABCHEACHE
SCHEMBL25274761 0.64 KIF11 (0.53) PRKCZKIF11MAOBMAOA
SCHEMBL29808134 0.63 HSD17B1 (0.62) PIK3CAPIK3CBPIK3CGHSD17B1HSD17B2
SCHEMBL184352 0.63 HSD17B1 (0.62) PIK3CAPIK3CBPIK3CGHSD17B1HSD17B2
SCHEMBL29683459 0.63 HSD17B1 (0.62) PIK3CAPIK3CBPIK3CGHSD17B1HSD17B2
SCHEMBL7461031 0.63 MAOB (0.73) KIF11MAOBMAOA
SCHEMBL2484955 0.62 HSD17B1 (0.60) PIK3CAPIK3CBPIK3CGHSD17B1HSD17B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030083351-A1 Medicinal uses of dihydropyrazoles THE PROCTER & GAMBLE COMPANY 2003-05-01 — — 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 (1 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-20030083351-A1 Medicinal uses of dihydropyrazoles EPOR, VEGFA, TEK PRKCZ 1874/4885KIF11 3846/4885BRAF 3011/4885

“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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