SCHEMBL15910361

SCHEMBL15910361

CCNc1cc(-c2cccnc2)nn1OC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 4/20 0.45
▸ CYP2A6 P11509 3/20 0.45
▸ CYP2C19 P33261 3/20 0.45
▸ CYP2E1 P05181 2/20 0.45
▸ CYP2C9 P11712 2/20 0.45
▸ CYP2B6 P20813 2/20 0.45
▸ F2 P00734 1/20 0.43
▸ MKNK1 Q9BUB5 1/20 0.43
▸ MKNK2 Q9HBH9 1/20 0.43
▸ ADORA2A P29274 2/20 0.40
▸ ADORA1 P30542 2/20 0.40
▸ CYP1A2 P05177 3/20 0.40
▸ CLK4 Q9HAZ1 3/20 0.40
▸ CYP2D6 P10635 2/20 0.40
▸ TSHR P16473 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ EPHX2 P34913 1/20 0.39

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
SCHEMBL2689091 0.83 CYP2A6 (0.49) CYP3A4CYP2A6CYP2C19CYP2E1CYP2C9
SCHEMBL2691331 0.72 CYP2A6 (0.50) CYP3A4CYP2A6CYP2C19CYP2E1CYP2C9
SCHEMBL2689279 0.71 CYP2A6 (0.51) CYP3A4CYP2A6CYP2C19CYP2E1CYP2C9
SCHEMBL2688788 0.69 VCP (0.49) CYP3A4CYP2A6CYP2C19CYP2E1CYP2C9
SCHEMBL17980254 0.69 MAPT (0.55) CYP2A6CYP2C19CYP2E1CYP2C9CYP2B6
SCHEMBL15656673 0.67 MAPT (0.50) CYP2C9F2ADORA2AADORA1CYP1A2
SCHEMBL17980295 0.66 NAMPT (0.48) CYP2A6CYP2C19CYP2E1CYP2C9CYP2B6
SCHEMBL2690983 0.66 GPR142 (0.50) CYP2A6CYP2C19CYP2E1CYP2C9CYP2B6
SCHEMBL17580398 0.66 CYP2A6 (0.41) CYP3A4CYP2A6CYP2C19CYP2E1CYP2C9
SCHEMBL5216349 0.65 EPHX2 (0.54) CYP3A4CYP2A6CYP2C19CYP2E1CYP2C9

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-20140213448-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2014-07-31 — — 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-20140213448-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO ACHE, DDT, PTMS CYP3A4 129/4885CYP2A6 368/4885CYP2C19 295/4885

“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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