SCHEMBL1554748

SCHEMBL1554748

CC(=O)c1cnn(-c2cccnc2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALKBH2 Q6NS38 2/20 0.53
HPGDS O60760 1/20 0.53
GRM1 Q13255 2/20 0.50
PRMT5 O14744 1/20 0.47
CYP2A6 P11509 1/20 0.46
RIPK2 O43353 2/20 0.46
HTT P42858 3/20 0.44
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
MAPT P10636 3/20 0.44
HPGD P15428 3/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
MTOR P42345 2/20 0.42
HRH3 Q9Y5N1 2/20 0.42
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
RPTOR Q8N122 1/20 0.41

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
SCHEMBL28784681 0.87 HPGDS (0.56) ALKBH2HPGDSGRM1PRMT5CYP2A6
SCHEMBL29544594 0.86 ALKBH2 (0.73) ALKBH2HPGDSPRMT5CYP2A6HTT
SCHEMBL1556313 0.86 ALKBH2 (0.73) ALKBH2HPGDSPRMT5CYP2A6HTT
SCHEMBL27862942 0.85 GRM1 (0.54) ALKBH2HPGDSGRM1PRMT5CYP2A6
SCHEMBL23846557 0.84 F7 (0.54) ALKBH2HPGDSPRMT5CYP2A6RIPK2
SCHEMBL12410370 0.84 ALKBH2 (0.53) ALKBH2HPGDSPRMT5CYP2A6RIPK2
SCHEMBL12410371 0.84 HPGDS (0.49) ALKBH2HPGDSGRM1PRMT5CYP2A6
SCHEMBL18682731 0.84 MKNK1 (0.55) ALKBH2HPGDSGRM1PRMT5CYP2A6
SCHEMBL4118702 0.83 ALKBH2 (0.74) ALKBH2HPGDSHTTNPC1RAB9A
Hydrochloric Acid SCHEMBL1680337 0.83 ALKBH2 (0.51) ALKBH2HPGDSPRMT5CYP2A6RIPK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9066518-B2 Heterocyclic compounds as pesticides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-06-30 US disclosed
US-9066518-B2 Heterocyclic compounds as pesticides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-06-30 US disclosed
US-9066518-B2 Heterocyclic compounds as pesticides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-06-30 US disclosed
EP-2488030-B1 1-(PYRID-3-YL)-PYRAZOLES AND 1-(PYRIMID-5-YL)-PYRAZOLES AS PEST CONTROLLERS BAYER CROPSCIENCE AG (DE) 2015-01-07 EP disclosed
EP-2488030-B1 1-(PYRID-3-YL)-PYRAZOLES AND 1-(PYRIMID-5-YL)-PYRAZOLES AS PEST CONTROLLERS BAYER CROPSCIENCE AG (DE) 2015-01-07 EP disclosed
US-20140221362-A1 Heterocyclic Compounds as Pesticides BAYER CROPSCIENCE AG (DE) 2014-08-07 US disclosed
US-20140221362-A1 Heterocyclic Compounds as Pesticides BAYER CROPSCIENCE AG (DE) 2014-08-07 US disclosed
US-20140221362-A1 Heterocyclic Compounds as Pesticides BAYER CROPSCIENCE AG (DE) 2014-08-07 US disclosed
EP-2488030-A1 1- (PYRID-3-YL) -PYRAZOLE AND 1- (PYRIMID-5-YL) -PYRAZOLE AS PESTICIDE Bayer CropScience AG (DE) 2012-08-22 EP disclosed
US-20110166143-A1 Heterocyclic Compounds as Pesticides BAYER CROPSCIENCE AG (DE) 2011-07-07 US disclosed
US-20110166143-A1 Heterocyclic Compounds as Pesticides BAYER CROPSCIENCE AG (DE) 2011-07-07 US disclosed
US-20110166143-A1 Heterocyclic Compounds as Pesticides BAYER CROPSCIENCE AG (DE) 2011-07-07 US disclosed
WO-2011045224-A1 1- (PYRID-3-YL) -PYRAZOLE AND 1- (PYRIMID-5-YL) -PYRAZOLE AS PESTICIDE BAYER CROPSCIENCE AG (DE) 2011-04-21 WO disclosed
WO-2011045224-A1 1- (PYRID-3-YL) -PYRAZOLE AND 1- (PYRIMID-5-YL) -PYRAZOLE AS PESTICIDE BAYER CROPSCIENCE AG (DE) 2011-04-21 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-20140221362-A1 Heterocyclic Compounds as Pesticides DDT, ACHE, BCHE ALKBH2 3095/4885HPGDS 1274/4885GRM1 1154/4885
US-20110166143-A1 Heterocyclic Compounds as Pesticides DDT, ACHE, BCHE ALKBH2 3095/4885HPGDS 1274/4885GRM1 1154/4885

“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.