SCHEMBL29325826

SCHEMBL29325826

Cc1nc(NC2CCCCC2)nnc1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 3/20 0.50
RAB9A P51151 2/20 0.44
ALDH1A1 P00352 2/20 0.44
HTT P42858 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
NPC1 O15118 1/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
MAPK1 P28482 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
PDE10A Q9Y233 1/20 0.43
KDM4E B2RXH2 1/20 0.42
GAA P10253 1/20 0.42
FYN P06241 1/20 0.41
CHRM3 P20309 2/20 0.39
PDE4B Q07343 2/20 0.39
PDE4C Q08493 2/20 0.39
PDE4D Q08499 2/20 0.39
LMNA P02545 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL29325972 0.85 MAPK8 (0.39) PDE4ARAB9AALDH1A1HTTSMN1; SMN2
SCHEMBL29325869 0.83 MAPK10 (0.36) PDE4AMAPK1PDE10A
SCHEMBL29155917 0.82 MAPK8 (0.39) PDE4A
SCHEMBL29325964 0.82 MAPK8 (0.39) PDE4A
SCHEMBL29326237 0.82 MAPK8 (0.39) PDE4A
SCHEMBL25301974 0.82 CCNT1 (0.43)
SCHEMBL25301972 0.82 CCNT1 (0.43)
SCHEMBL30684778 0.82 MAPK8 (0.39) PDE4A
SCHEMBL29155922 0.82 MAPK8 (0.39) PDE4A
SCHEMBL29326234 0.82 MAPK8 (0.39) PDE4A

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-20240239758-A1 SUBSTITUTED TRIAZINE COMPOUND NICO THERAPEUTICS, INC. 2024-07-18 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-20240239758-A1 SUBSTITUTED TRIAZINE COMPOUND NLRP3, NLRP1, PYCARD PDE4A 2274/4885RAB9A 4452/4885ALDH1A1 1683/4885

“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.