SCHEMBL2780593

SCHEMBL2780593

O=C(O)c1nc2cccnc2n(-c2ccccc2)c1=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 4/20 0.52
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
POLB P06746 1/20 0.51
PABPC1 P11940 1/20 0.51
FEN1 P39748 1/20 0.48
ALDH1A1 P00352 4/20 0.47
CYP2C19 P33261 2/20 0.47
TSHR P16473 1/20 0.47
MAPT P10636 3/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
PDE4D Q08499 3/20 0.44
PDE4A P27815 2/20 0.44
PDE4C Q08493 2/20 0.44
TP53 P04637 2/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP3A4 P08684 1/20 0.43
HSD17B10 Q99714 1/20 0.43
AKT1 P31749 1/20 0.42

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
SCHEMBL2780702 0.86 PDE4B (0.56) PDE4BMEN1KMT2APOLBPABPC1
SCHEMBL3008954 0.82 CSF1R (0.63) MEN1KMT2APOLBPABPC1ALDH1A1
SCHEMBL2778631 0.81 PDE4B (0.60) PDE4BMEN1KMT2APOLBPABPC1
SCHEMBL18691781 0.79 ALDH1A1 (0.52) MEN1KMT2APOLBPABPC1FEN1
SCHEMBL28243421 0.79 MEN1 (0.56) MEN1KMT2AALDH1A1CYP2C19TSHR
SCHEMBL2782204 0.78 PDE4B (0.46) PDE4BMEN1KMT2APOLBPABPC1
SCHEMBL1375742 0.75 MET (0.52) PDE4BKMT2AFEN1ALDH1A1CYP2C19
SCHEMBL19072782 0.75 PDE4B (0.64) PDE4BMEN1KMT2APOLBPABPC1
SCHEMBL6798166 0.75 ALDH1A1 (0.54) PDE4BMEN1KMT2APOLBPABPC1
Hydrochloric Acid SCHEMBL1373870 0.74 MET (0.51) PDE4BKMT2AFEN1ALDH1A1CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8648075-B2 Substituted pyrido[2,3-b]pyrazines and an agrochemical composition thereof KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2014-02-11 US disclosed
US-20130137577-A1 OXOPYRAZINE DERIVATIVE AND HERBICIDE IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2013-05-30 US disclosed
US-8389523-B2 Substituted quinoxaline and an agrochemical composition thereof KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2013-03-05 US disclosed
EP-2174934-B1 OXOPYRAZINE DERIVATIVE AND HERBICIDE KUMIAI CHEMICAL INDUSTRY CO (JP) 2012-06-06 EP disclosed
US-20100197674-A1 OXOPYRAZINE DERIVATIVE AND HERBICIDE KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2010-08-05 US disclosed
EP-2174934-A1 OXOPYRAZINE DERIVATIVE AND HERBICIDE KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2010-04-14 EP 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-20130137577-A1 OXOPYRAZINE DERIVATIVE AND HERBICIDE CBR3, CBR1, DDT PDE4B 3168/4885MEN1 4422/4885KMT2A 1530/4885
US-20100197674-A1 OXOPYRAZINE DERIVATIVE AND HERBICIDE CBR3, CBR1, DDT PDE4B 3168/4885MEN1 4422/4885KMT2A 1530/4885

“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.