SCHEMBL29314847

SCHEMBL29314847

Nc1nc2cc(-c3cc[nH]n3)ccc2c2cn(Cc3ccncc3)nc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 7/20 0.36
ADORA3 P0DMS8 7/20 0.36
ADORA1 P30542 5/20 0.36
TLR7 Q9NYK1 2/20 0.36
TLR8 Q9NR97 1/20 0.36
CDC7 O00311 1/20 0.33
AURKA O14965 1/20 0.33
CHUK O15111 1/20 0.33
MAPK13 O15264 1/20 0.33
DAPK3 O43293 1/20 0.33
JAK2 O60674 1/20 0.33
ROCK2 O75116 1/20 0.33
CHEK2 O96017 1/20 0.33
PRKCG P05129 1/20 0.33
CDK1 P06493 1/20 0.33
FGFR1 P11362 1/20 0.33
PRKACA P17612 1/20 0.33
CDK2 P24941 1/20 0.33
MARK3 P27448 1/20 0.33
MAPK1 P28482 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
SCHEMBL29314851 0.89 ADORA3 (0.36) ADORA2AADORA3ADORA1TLR7TLR8
SCHEMBL29314607 0.83 ADORA2B (0.42) ADORA2AADORA3ADORA1TLR7TLR8
SCHEMBL23037577 0.83 TLR8 (0.43) ADORA2AADORA3ADORA1TLR7TLR8
SCHEMBL29315565 0.82 TLR7 (0.38) ADORA2AADORA3ADORA1TLR7TLR8
SCHEMBL23037627 0.82 TLR8 (0.47) ADORA2AADORA3ADORA1TLR7TLR8
SCHEMBL29314853 0.81 NOS3 (0.35) TLR7TLR8
SCHEMBL23037675 0.81 TLR7 (0.46) ADORA2AADORA3ADORA1TLR7TLR8
SCHEMBL30539860 0.81 TLR7 (0.46) ADORA2AADORA3ADORA1TLR7TLR8
SCHEMBL29315533 0.81 MPO (0.38) ADORA2AADORA3ADORA1TLR7TLR8
SCHEMBL29314863 0.80 TLR8 (0.35) ADORA2AADORA3ADORA1TLR7TLR8

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-12037344-B2 NLRP3 modulators INNATE TUMOR IMMUNITY, INC (US) 2024-07-16 US disclosed
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 ADORA2A 459/4885ADORA3 956/4885ADORA1 429/4885

“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.