SCHEMBL29325825

SCHEMBL29325825

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 3/20 0.48
MKNK1 Q9BUB5 1/20 0.34
MKNK2 Q9HBH9 1/20 0.34
PIM1 P11309 1/20 0.34
LATS1 O95835 2/20 0.34
LATS2 Q9NRM7 1/20 0.34
PTPN11 Q06124 1/20 0.34
TNF P01375 1/20 0.33
IL1B P01584 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
ATM Q13315 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
KCNH2 Q12809 1/20 0.32
NLRP3 Q96P20 1/20 0.32
IRAK4 Q9NWZ3 1/20 0.31
ADORA2A P29274 4/20 0.30

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
SCHEMBL29325890 0.97 IDH1 (0.45) IDH1MKNK1MKNK2PIM1LATS1
SCHEMBL29325819 0.97 IDH1 (0.45) IDH1MKNK1MKNK2PIM1LATS1
SCHEMBL29325860 0.97 IDH1 (0.45) IDH1MKNK1MKNK2PIM1LATS1
SCHEMBL29155926 0.97 IDH1 (0.45) IDH1MKNK1MKNK2PIM1LATS1
SCHEMBL31341803 0.97 IDH1 (0.45) IDH1MKNK1MKNK2PIM1LATS1
SCHEMBL29155930 0.97 IDH1 (0.45) IDH1MKNK1MKNK2PIM1LATS1
SCHEMBL29325892 0.97 IDH1 (0.45) IDH1MKNK1MKNK2PIM1LATS1
SCHEMBL29325969 0.95 IDH1 (0.44) IDH1MKNK1MKNK2PIM1LATS1
SCHEMBL29325862 0.80 IDH1 (0.32) IDH1
SCHEMBL27182197 0.80 CDK4 (0.39)

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 IDH1 2485/4885MKNK1 1174/4885MKNK2 719/4885

“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.