SCHEMBL4172922

SCHEMBL4172922

O=C(O)Cc1cn(-c2cccnc2)nc1-c1ccccc1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.78
▸ KDM4E B2RXH2 4/20 0.78
▸ DRD2 P14416 1/20 0.65
▸ GAA P10253 1/20 0.63
▸ PTGES O14684 5/20 0.62
▸ ALOX5 P09917 4/20 0.62
▸ HPGD P15428 2/20 0.51
▸ HSD17B10 Q99714 2/20 0.51
▸ USP2 O75604 1/20 0.51
▸ MAPT P10636 1/20 0.51
▸ NPSR1 Q6W5P4 1/20 0.51
▸ NPC1 O15118 3/20 0.51
▸ RAB9A P51151 3/20 0.51
▸ MAPK1 P28482 1/20 0.51
▸ GSK3A P49840 1/20 0.47
▸ GSK3B P49841 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ MEN1 O00255 2/20 0.46

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
SCHEMBL11156647 0.92 ALDH1A1 (0.78) ALDH1A1KDM4EDRD2GAAPTGES
SCHEMBL10407060 0.88 KDM4E (1.00) ALDH1A1KDM4EDRD2GAAPTGES
SCHEMBL11158740 0.79 KDM4E (0.82) ALDH1A1KDM4EDRD2PTGESALOX5
SCHEMBL11153382 0.79 KDM4E (0.82) ALDH1A1KDM4EDRD2PTGESALOX5
SCHEMBL11245260 0.79 KDM4E (0.90) ALDH1A1KDM4EDRD2PTGESALOX5
SCHEMBL11160288 0.79 KDM4E (0.82) ALDH1A1KDM4EDRD2PTGESALOX5
Lonazolac SCHEMBL25221 0.79 KDM4E (1.00) ALDH1A1KDM4EDRD2PTGESALOX5
SCHEMBL11159845 0.79 KDM4E (0.82) ALDH1A1KDM4EDRD2PTGESALOX5
Lonazolac SCHEMBL287156 0.78 KDM4E (0.97) ALDH1A1KDM4EDRD2PTGESALOX5
Lonazolac SCHEMBL1478078 0.78 KDM4E (0.97) ALDH1A1KDM4EDRD2PTGESALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8252723-B2 Substituted 1-(3-pyridinyl)pyrazol-4-ylacetic acids, processes for their preparation and their use as herbicides and plant growth regulators BAYER CROPSCIENCE AG (DE) 2012-08-28 — — US disclosed
US-20090036310-A1 Substituted 1-(3-pyridinyl)pyrazol-4-ylacetic Acids, Processes for Their Preparation and Their Use as Herbicides and Plant Growth Regulators BAYER CORPSCIENCE GMBH (DE) 2009-02-05 — — 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-20090036310-A1 Substituted 1-(3-pyridinyl)pyrazol-4-ylacetic Acids, Processes for Their Preparation and Their Use as Herbicides and Plant Growth Regulators DDT, DDC, HPD ALDH1A1 396/4885KDM4E 224/4885DRD2 2496/4885

“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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