SCHEMBL2797901

SCHEMBL2797901

COc1ccc(-n2c(=O)c(C(=O)C3=C(O)CCCC3=O)nc3cccnc32)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 7/20 0.51
PDE4D Q08499 2/20 0.42
ALDH1A1 P00352 6/20 0.41
CYP3A4 P08684 4/20 0.41
CYP2C9 P11712 2/20 0.41
TSHR P16473 2/20 0.41
ALOX15 P16050 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 1/20 0.41
USP2 O75604 4/20 0.41
CYP1A2 P05177 4/20 0.41
CYP2C19 P33261 3/20 0.41
CYP2D6 P10635 1/20 0.41
MAPK1 P28482 1/20 0.41
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40
PDE10A Q9Y233 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
PKM P14618 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
SCHEMBL2782204 0.88 PDE4B (0.46) PDE4BPDE4DALDH1A1CYP3A4CYP2C9
SCHEMBL30116871 0.86 ALDH1A1 (0.48) ALDH1A1CYP3A4CYP2C9TSHRSMN1; SMN2
SCHEMBL23702610 0.86 ALDH1A1 (0.48) ALDH1A1CYP3A4CYP2C9TSHRSMN1; SMN2
SCHEMBL2780710 0.83 PDE4B (0.54) PDE4BPDE4D
SCHEMBL2780702 0.80 PDE4B (0.56) PDE4BPDE4DALDH1A1CYP3A4CYP2C9
SCHEMBL2784236 0.77 KMT2A (0.36) ALDH1A1SMN1; SMN2MEN1KMT2ARAB9A
SCHEMBL11393864 0.76 PDE4B (0.56) PDE4BPDE4DALDH1A1CYP3A4CYP2C9
SCHEMBL2782278 0.75 CSF1R (0.54) PDE4BALDH1A1CYP3A4CYP2C9TSHR
SCHEMBL1375986 0.73 MAPT (0.36) PDE4BPDE4D
SCHEMBL15002707 0.73 KDM4E (0.33) ALDH1A1CYP3A4CYP2C9TSHRALOX15

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 3168/4885PDE4D 3311/4885ALDH1A1 1180/4885
US-20100197674-A1 OXOPYRAZINE DERIVATIVE AND HERBICIDE CBR3, CBR1, DDT PDE4B 3168/4885PDE4D 3311/4885ALDH1A1 1180/4885

“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.