SCHEMBL3833333

SCHEMBL3833333

Cc1nn(-c2cccnc2)c(-c2ccccc2)c1CC(=O)O

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
MYC P01106 1/20 0.43
WDR5 P61964 1/20 0.43
GRM1 Q13255 3/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
PTGDR2 Q9Y5Y4 5/20 0.42
NAPRT Q6XQN6 1/20 0.41
KMT2A Q03164 1/20 0.41
SLC16A3 O15427 1/20 0.40
SLC16A1 P53985 1/20 0.40
P2RX7 Q99572 1/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL1195159 0.88 CYP2C9 (0.62) CYP1A2CYP2C9CYP2C19NPC1RAB9A
SCHEMBL4156010 0.88 MARS1 (0.44) MYCWDR5PTGDR2SLC16A3SLC16A1
SCHEMBL4158179 0.88 MEN1 (0.50) CYP1A2CYP2C9CYP2C19NPC1RAB9A
SCHEMBL3835898 0.86 PTGDR2 (0.47) NPC1RAB9AMYCWDR5GRM1
SCHEMBL11247967 0.83 CYP2C9 (0.56) CYP1A2CYP2C9CYP2C19NPC1RAB9A
SCHEMBL3862973 0.82 PTGDR2 (0.43) CYP1A2CYP2C9CYP2C19NPC1RAB9A
SCHEMBL1430497 0.82 PTGDR2 (0.43) CYP1A2CYP2C9CYP2C19NPC1RAB9A
SCHEMBL11255264 0.81 CYP1A2 (0.50) CYP1A2CYP2C9CYP2C19NPC1RAB9A
SCHEMBL11242627 0.80 CYP1A2 (0.52) CYP1A2CYP2C9CYP2C19NPC1RAB9A
SCHEMBL11252577 0.80 CYP1A2 (0.52) CYP1A2CYP2C9CYP2C19NPC1RAB9A

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 15 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
CN-101583276-B Substituted 1- (3-pyridyl) -pyrazol-4-yl acetic acids, method for the production thereof, and use thereof as herbicides and plant growth regulators BAYER CROPSCIENCE AG 2013-08-28 CN 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
CN-101583276-B Substituted 1- (3-pyridyl) -pyrazol-4-yl acetic acids, method for the production thereof, and use thereof as herbicides and plant growth regulators BAYER CROPSCIENCE AG 2013-08-28 CN 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 CYP1A2 185/4885CYP2C9 384/4885CYP2C19 1183/4885

“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.