SCHEMBL3835898

SCHEMBL3835898

O=C(O)Cc1c(-c2ccccc2)nn(-c2cccnc2)c1-c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 4/20 0.47
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 2/20 0.44
GRM1 Q13255 3/20 0.44
NAPRT Q6XQN6 1/20 0.42
LDHA P00338 1/20 0.41
LDHB P07195 1/20 0.41
GAA P10253 1/20 0.41
PTGIR P43119 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
MYC P01106 1/20 0.40
WDR5 P61964 1/20 0.40
HSD11B1 P28845 1/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40

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
Trifezolac SCHEMBL11182574 0.88 KDM4E (0.51) PTGDR2ALDH1A1KDM4EPTGIRMEN1
SCHEMBL3833333 0.86 CYP1A2 (0.50) PTGDR2ALDH1A1KDM4EGRM1NAPRT
SCHEMBL4161662 0.85 MEN1 (0.54) ALDH1A1KDM4EGRM1GAAMEN1
SCHEMBL11699362 0.81 KDM4E (0.55) PTGDR2ALDH1A1KDM4EGAAMAPT
SCHEMBL11254556 0.80 PTGDR2 (0.47) PTGDR2ALDH1A1KDM4EKMT2ANPC1
SCHEMBL11254211 0.80 CA1 (0.53) PTGDR2ALDH1A1KDM4EMEN1KMT2A
SCHEMBL11255212 0.80 PTGDR2 (0.54) PTGDR2ALDH1A1KDM4EGAAKMT2A
SCHEMBL11243360 0.80 KDM4E (0.56) PTGDR2ALDH1A1KDM4EGAAMEN1
SCHEMBL11257118 0.80 PTGDR2 (0.54) PTGDR2ALDH1A1KDM4EMEN1KMT2A
SCHEMBL11246732 0.80 PTGDR2 (0.52) PTGDR2ALDH1A1KDM4EMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2106213-B1 SUBSTITUTED 1-(3-PYRIDINYL)PYRAZOL-4-YL-ACETIC ACIDS, PROCESS FOR THEIR PREPARATION AND THEIR USE AS HERBICIDE AND PLANT GROWTH REGULATORS BAYER IP GMBH (DE) 2015-02-11 EP claimed
EP-2106213-A2 SUBSTITUTED 1-(3-PYRIDINYL)PYRAZOLE-4-YL ACETIC ACIDS, METHOD FOR THE PRODUCTION THEREOF, AND USE THEREOF AS HERBICIDES AND PLANT GROWTH REGULATORS Bayer CropScience AG (DE) 2009-10-07 EP claimed
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 claimed
WO-2008080504-A2 SUBSTITUTED 1-(3-PYRIDINYL)PYRAZOLE-4-YL ACETIC ACIDS, METHOD FOR THE PRODUCTION THEREOF, AND USE THEREOF AS HERBICIDES AND PLANT GROWTH REGULATORS BAYER CROPSCIENCE AG (DE) 2008-07-10 WO claimed
EP-1938686-A1 Substituted 1-(3-pyridinyl)pyrazol-4-yl-acetic acids, process for their preparation and their use as herbicide and plant growth regulator. Bayer CropScience AG (DE) 2008-07-02 EP claimed
EP-2106213-B1 SUBSTITUTED 1-(3-PYRIDINYL)PYRAZOL-4-YL-ACETIC ACIDS, PROCESS FOR THEIR PREPARATION AND THEIR USE AS HERBICIDE AND PLANT GROWTH REGULATORS BAYER IP GMBH (DE) 2015-02-11 EP disclosed
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
EP-2106213-A2 SUBSTITUTED 1-(3-PYRIDINYL)PYRAZOLE-4-YL ACETIC ACIDS, METHOD FOR THE PRODUCTION THEREOF, AND USE THEREOF AS HERBICIDES AND PLANT GROWTH REGULATORS Bayer CropScience AG (DE) 2009-10-07 EP 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
WO-2008080504-A2 SUBSTITUTED 1-(3-PYRIDINYL)PYRAZOLE-4-YL ACETIC ACIDS, METHOD FOR THE PRODUCTION THEREOF, AND USE THEREOF AS HERBICIDES AND PLANT GROWTH REGULATORS BAYER CROPSCIENCE AG (DE) 2008-07-10 WO disclosed
EP-1938686-A1 Substituted 1-(3-pyridinyl)pyrazol-4-yl-acetic acids, process for their preparation and their use as herbicide and plant growth regulator. Bayer CropScience AG (DE) 2008-07-02 EP disclosed
US-4325962-A ANTIINFLAMMATORY AGENTS, ANALGESICS, ANTIDYRETICS BYK-GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1982-04-20 US disclosed
US-4146721-A ANALGESICS, ANTIINFLAMMATORY AGENTS AND ANTIPYRETICS BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1979-03-27 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 PTGDR2 2321/4885ALDH1A1 396/4885KDM4E 224/4885

“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.