SCHEMBL11913441

SCHEMBL11913441

COc1c(Cl)ccc(-c2nc(C)c3cc(C)[nH]c3n2)c1F

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ SGK1 O00141 3/20 0.34
▸ CCNT1 O60563 1/20 0.33
▸ CDK9 P50750 1/20 0.33
▸ AMY1A P0DUB6 1/20 0.33
▸ ALOX5AP P20292 2/20 0.32
▸ FEN1 P39748 2/20 0.32
▸ KIT P10721 3/20 0.31
▸ PIK3CA P42336 1/20 0.31
▸ MEP1B Q16820 1/20 0.31
▸ ADORA2A P29274 1/20 0.30
▸ TRPA1 O75762 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
SCHEMBL11918127 0.85 ALOX5AP (0.32) ALOX5APFEN1KITPIK3CATRPA1
SCHEMBL11918060 0.85 MEP1B (0.33) AMY1AKITMEP1B
SCHEMBL1653870 0.84 ACLY (0.36) KITMEP1B
SCHEMBL11913421 0.84 HSD17B10 (0.36) CDK9MEP1B
SCHEMBL11913446 0.82 SGK1 (0.30) SGK1KIT
SCHEMBL11913443 0.78 ADORA2A (0.31) AMY1AMEP1BADORA2A
SCHEMBL11913424 0.76 DYRK1A (0.35) KITMEP1BADORA2A
SCHEMBL2596720 0.73 DHPS (0.38) AMY1AALOX5APFEN1MEP1B
SCHEMBL1396995 0.72 DHPS (0.41) AMY1AALOX5APFEN1MEP1B
SCHEMBL18244619 0.72 ALDH1A1 (0.45) AMY1AALOX5APFEN1MEP1B

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 SGK1 2447/4885CCNT1 1453/4885CDK9 2747/4885

“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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