SCHEMBL29596196

SCHEMBL29596196

Nc1cnc2nc[nH]c2n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 2/20 0.44
HPGD P15428 2/20 0.44
GLA P06280 1/20 0.44
GAA P10253 1/20 0.44
HSD17B10 Q99714 1/20 0.44
PDPK1 O15530 1/20 0.39
GDA Q9Y2T3 1/20 0.39
CDK2 P24941 3/20 0.37
DPP4 P27487 1/20 0.37
PI4KA P42356 2/20 0.36
PI4K2B Q8TCG2 2/20 0.36
PI4K2A Q9BTU6 2/20 0.36
PI4KB Q9UBF8 2/20 0.36
XDH P47989 2/20 0.36
LMNA P02545 1/20 0.36
DRD3 P35462 1/20 0.36
LRRK2 Q5S007 1/20 0.36
PNP P00491 1/20 0.36
CDK1 P06493 2/20 0.35

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
SCHEMBL26556504 1.00 ALDH1A1 (0.44) ALDH1A1KDM4EHPGDGLAGAA
SCHEMBL29873287 0.83 ALDH1A1 (0.44) ALDH1A1KDM4EHPGDGLAGAA
SCHEMBL29870750 0.74 ALDH1A1 (0.44) ALDH1A1KDM4EHPGDGLAGAA
SCHEMBL11829105 0.73 ALDH1A1 (0.62) ALDH1A1KDM4EHPGDGLAGAA
SCHEMBL17265813 0.71 ALDH1A1 (0.60) ALDH1A1KDM4EHPGDGLAGAA
SCHEMBL21388594 0.69 KDM4E (0.40) ALDH1A1KDM4EHPGDGLAGAA
SCHEMBL28644122 0.69 KDM4E (0.40) ALDH1A1KDM4EHPGDGLAGAA
SCHEMBL15718849 0.69 KDM4E (0.40) ALDH1A1KDM4EHPGDGLAGAA
SCHEMBL29870020 0.68 ALOX5AP (0.43) ALDH1A1KDM4EHPGDGLAGAA
SCHEMBL28323278 0.68 ALDH1A1 (0.42) ALDH1A1KDM4EHPGDGLAGAA

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-20220125787-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH APJ RECEPTOR ACTIVITY ANNAPURNA BIO, INC. 2022-04-28 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-20220125787-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH APJ RECEPTOR ACTIVITY APLNR, AGTR1, AGTR2 ALDH1A1 2722/4885KDM4E 3721/4885HPGD 693/4885

“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.