SCHEMBL31052736

SCHEMBL31052736

CCOC(=O)c1cc2[nH]c(=O)c3ccncc3n2n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.50
KDM5A P29375 1/20 0.47
KDM5B Q9UGL1 1/20 0.47
PARP1 P09874 8/20 0.45
ALDH1A1 P00352 2/20 0.45
KDM4E B2RXH2 1/20 0.45
HPGD P15428 1/20 0.45
RAB9A P51151 1/20 0.45
HIF1A Q16665 1/20 0.45
GABRP O00591 1/20 0.44
GABRD O14764 1/20 0.44
GABRA1 P14867 1/20 0.44
GABRB1 P18505 1/20 0.44
GABRG2 P18507 1/20 0.44
GABRB3 P28472 1/20 0.44
GABRA5 P31644 1/20 0.44
GABRA3 P34903 1/20 0.44
GABRA2 P47869 1/20 0.44
GABRB2 P47870 1/20 0.44
GABRA4 P48169 1/20 0.44

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
SCHEMBL16695820 0.85 ADORA3 (0.61) ADORA3PARP1ALDH1A1KDM4EHPGD
SCHEMBL16695706 0.78 PARP1 (0.68) PARP1ALDH1A1KDM4EHPGDRAB9A
SCHEMBL31330209 0.78 ADORA3 (0.53) ADORA3PARP1ALDH1A1KDM4EHPGD
SCHEMBL30924898 0.78 ADORA3 (0.43) ADORA3KDM5AKDM5BALDH1A1KDM4E
SCHEMBL30924896 0.76 KDM4E (0.76) KDM5AKDM5BALDH1A1KDM4EHPGD
SCHEMBL12756114 0.76 KDM4E (0.76) KDM5AKDM5BALDH1A1KDM4EHPGD
SCHEMBL27267212 0.76 KDM4E (0.50) ADORA3KDM5AKDM5BALDH1A1KDM4E
SCHEMBL31410803 0.76 ADORA3 (0.74) ADORA3KDM5AKDM5BALDH1A1KDM4E
SCHEMBL11060384 0.74 ADORA3 (0.62) ADORA3ALDH1A1KDM4ERAB9AGABRP
SCHEMBL24760670 0.72 KDM4E (0.44) ADORA3ALDH1A1KDM4EHPGDGABRP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12071437-B1 Pyrazolo[1,5-a]pyrido[4,3-e]pyrimidine-2-carboxylic acids as CK2 inhibitors King Faisal University (SA) 2024-08-27 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 (1 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-12071437-B1 Pyrazolo[1,5-a]pyrido[4,3-e]pyrimidine-2-carboxylic acids as CK2 inhibitors CDK2, PDXK, SKP2 ADORA3 861/4885KDM5A 2540/4885KDM5B 2978/4885

“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.