SCHEMBL11918098

SCHEMBL11918098

COc1c(I)ccc(-c2nc(C)c3c(C)c(C)[nH]c3n2)c1F

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 2/20 0.31
▸ ADORA1 P30542 2/20 0.31
▸ MAPT P10636 2/20 0.30
▸ TP53 P04637 1/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ POLB P06746 1/20 0.30
▸ GAA P10253 1/20 0.30
▸ PKM P14618 1/20 0.30
▸ KMT2A Q03164 1/20 0.30

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
SCHEMBL11913443 0.85 ADORA2A (0.31) ADORA2AADORA1MAPTKDM4EMEN1
SCHEMBL11918051 0.81 DYRK1A (0.38) —
SCHEMBL11918127 0.78 ALOX5AP (0.32) —
SCHEMBL10285745 0.77 CRHR1 (0.35) MAPTTP53MEN1KMT2A
SCHEMBL11918017 0.73 NPSR1 (0.38) ADORA2AADORA1MEN1POLBKMT2A
SCHEMBL11918099 0.73 MRGPRX1 (0.30) —
SCHEMBL11913445 0.72 ADORA2A (0.31) ADORA2AADORA1
SCHEMBL11918158 0.72 EIF2AK3 (0.32) —
SCHEMBL11902816 0.71 TAS1R3 (0.37) ADORA2AADORA1KDM4EGAA
SCHEMBL11918014 0.71 EIF2AK3 (0.30) —

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-20120202690-A1 HERBICIDAL COMPOUNDS SYNGENTA LIMITED (US) 2012-08-09 — — 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-20120202690-A1 HERBICIDAL COMPOUNDS DDT, HAO2, HAAO ADORA2A 2029/4885ADORA1 2152/4885MAPT 4272/4885

“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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