SCHEMBL29314510

SCHEMBL29314510

Cn1cc2c(=O)[nH]c3ccccc3c2n1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 13/20 0.64
PARP1 P09874 5/20 0.53
KDM4E B2RXH2 3/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
HSD17B10 Q99714 2/20 0.50
TNKS O95271 1/20 0.50
ALDH1A1 P00352 1/20 0.50
LMNA P02545 1/20 0.50
CYP1A2 P05177 1/20 0.50
GPR3 P46089 1/20 0.50
BLM P54132 1/20 0.50
PMP22 Q01453 1/20 0.50
PARP15 Q460N3 1/20 0.50
TNKS2 Q9H2K2 1/20 0.50
ADORA1 P30542 3/20 0.48
CHEK1 O14757 1/20 0.48
NPC1 O15118 1/20 0.44
TP53 P04637 1/20 0.44
RAB9A P51151 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
SCHEMBL30273074 1.00 ADORA3 (0.64) ADORA3PARP1KDM4EMEN1KMT2A
SCHEMBL29314496 0.87 ADORA3 (0.62) ADORA3PARP1KDM4EMEN1KMT2A
SCHEMBL30577460 0.79 ADORA3 (0.53) ADORA3KDM4EALDH1A1
SCHEMBL30577534 0.76 ADORA3 (0.46) ADORA3PARP1TNKSTNKS2CHEK1
SCHEMBL31386897 0.76 PARP1 (0.55) ADORA3PARP1KDM4EKMT2AHSD17B10
SCHEMBL31552814 0.76 ADORA3 (0.44) ADORA3PARP1
SCHEMBL31386716 0.73 PARP1 (0.60) PARP1KDM4EMEN1KMT2AHSD17B10
SCHEMBL1920151 0.73 KDM4E (0.62) ADORA3PARP1KDM4EMEN1KMT2A
SCHEMBL30577485 0.73 KDM4E (0.62) ADORA3PARP1KDM4EMEN1KMT2A
SCHEMBL30756685 0.73 CA5A (0.47) ADORA3KDM4EHSD17B10ALDH1A1LMNA

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-12037344-B2 NLRP3 modulators INNATE TUMOR IMMUNITY, INC (US) 2024-07-16 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-12037344-B2 NLRP3 modulators NLRP3, NLRP1, PYCARD ADORA3 956/4885PARP1 244/4885KDM4E 3888/4885

“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.