SCHEMBL1008764

SCHEMBL1008764

c1ccc(Nn2cccn2)nc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
MAPK10 P53779 1/20 0.45
GFER P55789 1/20 0.45
NPC1 O15118 5/20 0.42
RAB9A P51151 5/20 0.42
PKM P14618 3/20 0.42
CXCR4 P61073 1/20 0.41
GAA P10253 2/20 0.40
FABP1 P07148 1/20 0.40
FABP6 P51161 1/20 0.40
KDR P35968 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38

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
SCHEMBL11337049 0.77 MEN1 (0.42) MEN1KMT2AMAPK10GFERNPC1
SCHEMBL6859755 0.75 MEN1 (0.48) MEN1KMT2AMAPK10GFERNPC1
SCHEMBL4012647 0.74 ALDH1A1 (0.40) MEN1KMT2AGAAKDRSMN1; SMN2
SCHEMBL14776020 0.74 GOT1 (0.48)
SCHEMBL21206275 0.74 ALDH1A1 (0.37) MEN1KMT2AGAAKDM4EALDH1A1
SCHEMBL29287405 0.73 RAB9A (0.58) MEN1KMT2ANPC1RAB9APKM
SCHEMBL825684 0.72 CYP1A2 (0.38) NPC1GAAALDH1A1HSD17B10CYP1A2
SCHEMBL23576355 0.71 MEN1 (0.40) MEN1KMT2AMAPK10GFERNPC1
SCHEMBL14776046 0.69
SCHEMBL7484183 0.68 MEN1 (0.45) MEN1KMT2AMAPK10GFERNPC1

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-0745067-A1 N-PYRAZOLYL ANILINES AND N-PYRAZOLYL AMINOPYRIDINES AS PESTICIDES BAYER AG (DE) 1996-12-04 EP claimed
WO-1995022530-A1 N-PYRAZOLYL ANILINES AND N-PYRAZOLYL AMINOPYRIDINES AS PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 1995-08-24 WO claimed
US-8629273-B2 Diazinylpyrazolyl compounds BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-01-14 US disclosed
US-20110124660-A1 Novel Diazinylpyrazolyl Compounds BAYER CROPSCIENCE AG (DE) 2011-05-26 US disclosed
EP-2125789-B1 PYRIMIDINYL PYRAZOLES AS INSECTICIDES AND PARASITICIDE ACTIVE AGENTS BAYER CROPSCIENCE AG (DE) 2011-03-16 EP disclosed
EP-2275422-A1 Pyrimidinylpyrazoles as insecticide and parasiticide agents Bayer CropScience AG (DE) 2011-01-19 EP disclosed
US-20100144672-A1 PYRIMIDINYL PYRAZOLES AS INSECTICIDES AND PARASITICIDE ACTIVE AGENTS BAYER CROPSCIENCE AG (DE) 2010-06-10 US disclosed
EP-2125789-A1 PYRIMIDINYL PYRAZOLES AS INSECTICIDES AND PARASITICIDE ACTIVE AGENTS Bayer CropScience AG (DE) 2009-12-02 EP disclosed
WO-2008077483-A1 PYRIMIDINYL PYRAZOLES AS INSECTICIDES AND PARASITICIDE ACTIVE AGENTS BAYER CROPSCIENCE AG (DE) 2008-07-03 WO disclosed
US-5849778-A N-pyrazolyl anilines as pesticides BAYER AKTIENGESELLSCHAFT (DE) 1998-12-15 US disclosed
US-5849778-A N-pyrazolyl anilines as pesticides BAYER AKTIENGESELLSCHAFT (DE) 1998-12-15 US disclosed
EP-0745067-A1 N-PYRAZOLYL ANILINES AND N-PYRAZOLYL AMINOPYRIDINES AS PESTICIDES BAYER AG (DE) 1996-12-04 EP disclosed
EP-0745067-A1 N-PYRAZOLYL ANILINES AND N-PYRAZOLYL AMINOPYRIDINES AS PESTICIDES BAYER AG (DE) 1996-12-04 EP disclosed
WO-1995022530-A1 N-PYRAZOLYL ANILINES AND N-PYRAZOLYL AMINOPYRIDINES AS PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 1995-08-24 WO disclosed
WO-1995022530-A1 N-PYRAZOLYL ANILINES AND N-PYRAZOLYL AMINOPYRIDINES AS PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 1995-08-24 WO 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 (2 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-20100144672-A1 PYRIMIDINYL PYRAZOLES AS INSECTICIDES AND PARASITICIDE ACTIVE AGENTS PIR, ITPA, DDT MEN1 3897/4885KMT2A 2153/4885MAPK10 4625/4885
US-20110124660-A1 Novel Diazinylpyrazolyl Compounds DDT, PDHX, RECQL MEN1 1338/4885KMT2A 2651/4885MAPK10 4464/4885

“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.