SCHEMBL25334573

SCHEMBL25334573

COc1cccc(-c2nc(OC)nc(-c3cccc(OC)c3)n2)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CLK4 Q9HAZ1 2/20 0.62
▸ DYRK1A Q13627 1/20 0.62
▸ CYP1A2 P05177 4/20 0.56
▸ CYP3A4 P08684 4/20 0.56
▸ CYP2C9 P11712 4/20 0.56
▸ CYP2B6 P20813 2/20 0.56
▸ AHR P35869 2/20 0.56
▸ NR1I3 Q14994 2/20 0.56
▸ VDR P11473 1/20 0.56
▸ CNR2 P34972 1/20 0.55
▸ NR1H2 P55055 1/20 0.54
▸ NR1H3 Q13133 1/20 0.54
▸ CYP2D6 P10635 3/20 0.52
▸ CYP2C19 P33261 2/20 0.52
▸ MAPK1 P28482 2/20 0.52
▸ HSD17B10 Q99714 2/20 0.52
▸ USP2 O75604 1/20 0.52
▸ ALOX15 P16050 1/20 0.52
▸ NPC1 O15118 3/20 0.51
▸ TP53 P04637 3/20 0.51

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
SCHEMBL30423164 1.00 CLK4 (0.62) CLK4DYRK1ACYP1A2CYP3A4CYP2C9
SCHEMBL28315176 0.87 CYP1A2 (0.67) CLK4DYRK1ACYP1A2CYP3A4CYP2C9
SCHEMBL29712524 0.87 CYP1A2 (0.67) CLK4DYRK1ACYP1A2CYP3A4CYP2C9
SCHEMBL23383679 0.87 CLK4 (0.65) CLK4DYRK1ACYP1A2CYP3A4CYP2C9
SCHEMBL2876289 0.83 XDH (0.64) CLK4DYRK1ACYP1A2CYP3A4CYP2C9
SCHEMBL28029282 0.83 CLK4 (0.65) CLK4DYRK1ACYP1A2CYP3A4CYP2C9
SCHEMBL4126244 0.80 CLK4 (0.61) CLK4DYRK1ACYP1A2CYP3A4CYP2C9
SCHEMBL29915339 0.80 DYRK1A (0.61) CLK4DYRK1ACYP1A2CYP3A4CYP2C9
SCHEMBL1592678 0.80 CLK4 (0.61) CLK4DYRK1ACYP1A2CYP3A4CYP2C9
SCHEMBL28338207 0.80 CLK4 (0.61) CLK4DYRK1ACYP1A2CYP3A4CYP2C9

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-20230247997-A1 NEMATICIDE COMPOUNDS, COMPOSITIONS, AND METHODS OF THEIR MAKING AND USE IOWA STATE UNIVERSITY RESEARCH FOUNDATION, INC. 2023-08-10 — — 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-20230247997-A1 NEMATICIDE COMPOUNDS, COMPOSITIONS, AND METHODS OF THEIR MAKING AND USE ACHE, NISCH, CASP7 CLK4 4794/4885DYRK1A 4685/4885CYP1A2 265/4885

“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.

Send feedback