SCHEMBL29314505

SCHEMBL29314505

Nc1nc2ccccc2c2n[nH]cc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DCPS Q96C86 1/20 0.48
KDM4E B2RXH2 3/20 0.44
ALDH1A1 P00352 3/20 0.44
HPGD P15428 3/20 0.44
HSD17B10 Q99714 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
GLA P06280 2/20 0.44
CASP1 P29466 2/20 0.44
CASP7 P55210 2/20 0.44
ADORA3 P0DMS8 2/20 0.44
CHRM2 P08172 1/20 0.44
ADRA2A P08913 1/20 0.44
CHRM1 P11229 1/20 0.44
NQO2 P16083 1/20 0.44
MAOA P21397 1/20 0.44
DRD1 P21728 1/20 0.44
ACHE P22303 1/20 0.44
SLC6A2 P23975 1/20 0.44
ADRA1A P35348 1/20 0.44
OPRM1 P35372 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
SCHEMBL30539814 1.00 DCPS (0.48) DCPSKDM4EALDH1A1HPGDHSD17B10
SCHEMBL29526654 0.86 ADORA3 (0.47) DCPSKDM4EALDH1A1HPGDHSD17B10
SCHEMBL1233223 0.86 ADORA3 (0.47) DCPSKDM4EALDH1A1HPGDHSD17B10
Hydrochloric Acid SCHEMBL5572086 0.84 ADORA3 (0.46) DCPSKDM4EALDH1A1HPGDHSD17B10
SCHEMBL23037503 0.77 PTGES (0.45) ACHETLR8TLR7HTTCLK1
SCHEMBL27919701 0.76 MAPT (0.37) KDM4EALDH1A1HPGDHSD17B10GLA
SCHEMBL16495320 0.75 RAB9A (0.42) KDM4EALDH1A1HPGDSMN1; SMN2GAA
SCHEMBL29314515 0.74 TLR8 (0.47) DCPSKDM4EALDH1A1HPGDHSD17B10
SCHEMBL72801 0.72 DCPS (0.64) DCPSKDM4EALDH1A1HPGDHSD17B10
SCHEMBL29583288 0.72 DCPS (0.64) DCPSKDM4EALDH1A1HPGDHSD17B10

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 DCPS 3366/4885KDM4E 3888/4885ALDH1A1 843/4885

“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.