SCHEMBL904382

SCHEMBL904382

c1cnn(-c2cnccn2)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.64
ALDH1A1 P00352 2/20 0.64
LMNA P02545 2/20 0.45
ADORA2A P29274 1/20 0.42
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
G6PD P11413 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HTT P42858 1/20 0.39
AOC3 Q16853 2/20 0.39
NOTUM Q6P988 1/20 0.38
NPC1 O15118 1/20 0.38
GLA P06280 1/20 0.38
RAB9A P51151 1/20 0.38
TDO2 P48775 1/20 0.38
ACVR1B P36896 1/20 0.37
TGFBR1 P36897 1/20 0.37
GRM5 P41594 2/20 0.36

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
SCHEMBL29606764 1.00 KDM4E (0.64) KDM4EALDH1A1LMNAADORA2AKMT2A
SCHEMBL12532330 0.78 KDM4E (1.00) KDM4EALDH1A1LMNAADORA2AKMT2A
SCHEMBL173802 0.72 KDM4E (0.50) KDM4EALDH1A1LMNAADORA2AKMT2A
SCHEMBL29635627 0.72 KDM4E (0.50) KDM4EALDH1A1LMNAADORA2AKMT2A
SCHEMBL10136885 0.72 KDM4E (0.50) KDM4EALDH1A1LMNAADORA2AKMT2A
SCHEMBL27345553 0.72 KDM4E (0.50) KDM4EALDH1A1LMNAADORA2AKMT2A
SCHEMBL18708287 0.72 KDM4E (0.50) KDM4EALDH1A1LMNAADORA2AKMT2A
SCHEMBL12186846 0.72 KDM4E (0.50) KDM4EALDH1A1LMNAKMT2AMEN1
SCHEMBL9924605 0.72 KDM4E (0.46) KDM4EALDH1A1LMNAADORA2AKMT2A
SCHEMBL22971375 0.71 ADORA2A (0.51) KDM4EALDH1A1LMNAADORA2AKMT2A

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 41 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102459235-B Pyrazinyl pyrazoles BAYER CROPSCIENCE AG 2015-03-11 CN claimed
EP-2435420-B1 Pyrazinylpyrazoles BAYER CROPSCIENCE AG (DE) 2013-04-03 EP claimed
US-20120190687-A1 Pyrazinylpyrazoles BAYER CROPSCIENCE AG 2012-07-26 US claimed
EP-2266973-A1 Pyrazinylpyrazole Bayer CropScience AG (DE) 2010-12-29 EP claimed
WO-2010136145-A1 PYRAZINYLPYRAZOLES BAYER CROPSCIENCE AG (DE) 2010-12-02 WO claimed
US-20230167088-A1 1-PYRAZINYLPYRAZOLYL-3-OXYALKYL ACIDS AND THEIR DERIVATIVES, AND THEIR USE FOR CONTROL OF UNDESIRED PLANT GROWTH BAYER AKTIENGESELLSCHAFT (DE) 2023-06-01 US disclosed
US-9066945-B2 Ectoparasiticidal active substance combinations BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-06-30 US disclosed
US-9066945-B2 Ectoparasiticidal active substance combinations BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-06-30 US disclosed
CN-102459235-B Pyrazinyl pyrazoles BAYER CROPSCIENCE AG 2015-03-11 CN disclosed
CN-102459235-B Pyrazinyl pyrazoles BAYER CROPSCIENCE AG 2015-03-11 CN disclosed
CN-102459235-B Pyrazinyl pyrazoles BAYER CROPSCIENCE AG 2015-03-11 CN disclosed
US-20140179623-A1 ECTOPARASITICIDAL ACTIVE SUBSTANCE COMBINATIONS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-06-26 US disclosed
US-20110021539-A1 Pyrazinylpyrazoles BAYER CROPSCIENCE AG (DE) 2011-01-27 US disclosed
EP-2266973-A1 Pyrazinylpyrazole Bayer CropScience AG (DE) 2010-12-29 EP disclosed
EP-2266973-A1 Pyrazinylpyrazole Bayer CropScience AG (DE) 2010-12-29 EP disclosed
EP-2266973-A1 Pyrazinylpyrazole Bayer CropScience AG (DE) 2010-12-29 EP disclosed
WO-2010136145-A1 PYRAZINYLPYRAZOLES BAYER CROPSCIENCE AG (DE) 2010-12-02 WO disclosed
WO-2010136145-A1 PYRAZINYLPYRAZOLES BAYER CROPSCIENCE AG (DE) 2010-12-02 WO disclosed
US-5102893-A Anticholestrerol agents WARNER-LAMBERT COMPANY (US) 1992-04-07 US disclosed
US-4957971-A Trans-6-(2-(N-heteroaryl-3,5-disubstituted)pyrazol-4-yl)-ethyl)-or ethenyl)tetrahydro-4-hydroxypyran-2-one inhibitors of cholesterol biosynthesis WARNER-LAMBERT COMPANY (US) 1990-09-18 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 (4 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-20110021539-A1 Pyrazinylpyrazoles CYP4F3, CYP4B1, CYP1A2 KDM4E 2150/4885ALDH1A1 2140/4885LMNA 2058/4885
US-20230167088-A1 1-PYRAZINYLPYRAZOLYL-3-OXYALKYL ACIDS AND THEIR DERIVATIVES, AND THEIR USE FOR CONTROL OF UNDESIRED PLANT GROWTH AGPS, CBR3, HPD KDM4E 3651/4885ALDH1A1 395/4885LMNA 4411/4885
US-20140179623-A1 ECTOPARASITICIDAL ACTIVE SUBSTANCE COMBINATIONS EPX, CAT, PIGO KDM4E 2993/4885ALDH1A1 2177/4885LMNA 2823/4885
US-20120190687-A1 Pyrazinylpyrazoles CYP4F3, CYP4B1, CYP1A2 KDM4E 2150/4885ALDH1A1 2140/4885LMNA 2058/4885

“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.