SCHEMBL21393362

SCHEMBL21393362

Cn1c(N)nc2nc[nH]c(=O)c21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.43
ALDH1A1 P00352 4/20 0.42
PNP P00491 1/20 0.41
ATAD2 Q6PL18 1/20 0.38
PIK3CD O00329 1/20 0.37
ALPL P05186 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
TMIGD3 P0DMS9 1/20 0.37
PDE4A P27815 1/20 0.37
ADORA2A P29274 1/20 0.37
ADORA2B P29275 1/20 0.37
ADORA1 P30542 1/20 0.37
CYP2C19 P33261 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
HIF1A Q16665 1/20 0.37
KDM4E B2RXH2 2/20 0.36
HPGD P15428 2/20 0.36
HSD17B10 Q99714 2/20 0.36

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
SCHEMBL21363641 0.81 POLB (0.44) POLBALDH1A1PNPATAD2PIK3CD
SCHEMBL18704205 0.79 POLB (0.43) POLBALDH1A1PNPATAD2PIK3CD
SCHEMBL21353905 0.79 POLB (0.43) POLBALDH1A1PNPATAD2PIK3CD
SCHEMBL21363637 0.79 POLB (0.47) POLBALDH1A1PNPATAD2PIK3CD
SCHEMBL21393574 0.77 POLB (0.41) POLBALDH1A1PNPADORA2AADORA2B
SCHEMBL20867 0.76 ATAD2 (0.53) PNPATAD2PIK3CDALPLADORA3
SCHEMBL26155910 0.76 POLB (0.40) POLBALDH1A1PNPATAD2PIK3CD
Hydrochloric Acid SCHEMBL27339406 0.75 ATAD2 (0.51) PNPATAD2PIK3CDALPLADORA3
Water SCHEMBL27738785 0.75 ADORA2A (0.54) PNPATAD2PIK3CDALPLADORA3
SCHEMBL21579656 0.74 ALDH1A1 (0.45) ALDH1A1PNPATAD2PIK3CDALPL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11655245-B2 Oxadiazole transient receptor potential channel inhibitors GENENTECH, INC. (US) 2023-05-23 US disclosed
WO-2019182925-A1 OXADIAZOLE TRANSIENT RECEPTOR POTENTIAL CHANNEL INHIBITORS GENENTECH, INC. (US) 2019-09-26 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 (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-11655245-B2 Oxadiazole transient receptor potential channel inhibitors TRPA1, TRPV1, P2RX3 POLB 4798/4885ALDH1A1 665/4885PNP 3434/4885

“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.