SCHEMBL29325972

SCHEMBL29325972

Cc1nc(N[C@@H]2CCCC[C@@H](O)C2)nnc1Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 9/20 0.39
PDE4A P27815 1/20 0.37
MAPK9 P45984 6/20 0.35
PDE10A Q9Y233 1/20 0.35
RAB9A P51151 2/20 0.34
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CCNT1 O60563 1/20 0.34
CDK2 P24941 1/20 0.34
CDK7 P50613 1/20 0.34
CDK9 P50750 1/20 0.34
IL1B P01584 2/20 0.33
PTPN11 Q06124 2/20 0.33
TNF P01375 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
SCHEMBL29326237 0.97 MAPK8 (0.39) MAPK8PDE4AMAPK9CCNT1CDK2
SCHEMBL29326234 0.97 MAPK8 (0.39) MAPK8PDE4AMAPK9CCNT1CDK2
SCHEMBL29325964 0.97 MAPK8 (0.39) MAPK8PDE4AMAPK9CCNT1CDK2
SCHEMBL30684778 0.97 MAPK8 (0.39) MAPK8PDE4AMAPK9CCNT1CDK2
SCHEMBL29155917 0.97 MAPK8 (0.39) MAPK8PDE4AMAPK9CCNT1CDK2
SCHEMBL29155922 0.97 MAPK8 (0.39) MAPK8PDE4AMAPK9CCNT1CDK2
SCHEMBL29325879 0.91 IRAK4 (0.35) MAPK8MAPK9CCNT1CDK9PTPN11
SCHEMBL29325872 0.91 IRAK4 (0.35) MAPK8MAPK9CCNT1CDK9PTPN11
SCHEMBL29325826 0.85 PDE4A (0.50) PDE4APDE10ARAB9ANPC1ALDH1A1
SCHEMBL29325869 0.82 MAPK10 (0.36) MAPK8PDE4AMAPK9PDE10AMAPK1

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 MAPK8 3960/4885PDE4A 2274/4885MAPK9 4007/4885

“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.