SCHEMBL21393574

SCHEMBL21393574

CNc1nc2nc[nH]c(=O)c2n1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.41
ALDH1A1 P00352 3/20 0.40
PDPK1 O15530 1/20 0.36
ADORA2A P29274 2/20 0.35
ADORA2B P29275 1/20 0.35
BRD4 O60885 2/20 0.35
XDH P47989 4/20 0.34
TSHR P16473 2/20 0.34
LMNA P02545 1/20 0.34
SLC6A4 P31645 1/20 0.34
ADRA1A P35348 1/20 0.34
RAB9A P51151 1/20 0.34
BLM P54132 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
GDA Q9Y2T3 1/20 0.33
SRC P12931 1/20 0.33
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL21393418 0.83 SMN1; SMN2 (0.40) POLBALDH1A1XDHTSHRLMNA
SCHEMBL26155899 0.82 GDA (0.48) POLBALDH1A1BRD4GDASRC
SCHEMBL21393365 0.80 CYP3A4 (0.40) POLBALDH1A1XDHLMNASMN1; SMN2
SCHEMBL21363641 0.78 POLB (0.44) POLBALDH1A1PDPK1ADORA2AADORA2B
SCHEMBL21393345 0.78 TRPA1 (0.39) POLBALDH1A1ADORA2AXDHTSHR
SCHEMBL21393579 0.78 LMNA (0.44) POLBLMNARAB9ASMN1; SMN2KDM4E
SCHEMBL31685607 0.77 ADORA2A (0.49) ALDH1A1ADORA2AADORA2BXDHTSHR
SCHEMBL21393362 0.77 POLB (0.43) POLBALDH1A1ADORA2AADORA2BBRD4
SCHEMBL21363637 0.77 POLB (0.47) POLBALDH1A1ADORA2AADORA2BBRD4
SCHEMBL18704205 0.77 POLB (0.43) POLBALDH1A1ADORA2AADORA2BBRD4

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 665/4885PDPK1 2726/4885

“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.