SCHEMBL29325929

SCHEMBL29325929

Cc1nc(N[C@@H]2CCN(C(=O)OC(C)(C)C)C2)nnc1Cl

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BTK Q06187 3/20 0.49
USP30 Q70CQ3 6/20 0.46
IDH1 O75874 2/20 0.46
ALDH1A1 P00352 2/20 0.44
NPC1 O15118 1/20 0.44
MAPT P10636 1/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
RAB9A P51151 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
BRD4 O60885 1/20 0.44
EPHX1 P07099 1/20 0.42
IDH2 P48735 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
PARP1 P09874 1/20 0.40
PIM1 P11309 2/20 0.40
PIM2 Q9P1W9 2/20 0.40

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
SCHEMBL30488538 0.94 BTK (0.50) BTKUSP30IDH1ALDH1A1MAPT
SCHEMBL25302816 0.94 BTK (0.50) BTKUSP30IDH1ALDH1A1MAPT
SCHEMBL29326041 0.94 BTK (0.50) BTKUSP30IDH1ALDH1A1MAPT
SCHEMBL25302818 0.94 BTK (0.50) BTKUSP30IDH1ALDH1A1MAPT
SCHEMBL31341798 0.86 CDK4 (0.39) BTKUSP30IDH1ALDH1A1NPC1
SCHEMBL29325933 0.86 CDK4 (0.46) BTKUSP30IDH1ALDH1A1NPC1
SCHEMBL30053983 0.85 BTK (0.37) BTKUSP30IDH1ALDH1A1NPC1
SCHEMBL23292333 0.83 CDK12 (0.56) BTKUSP30IDH1ALDH1A1NPC1
SCHEMBL22895770 0.83 CDK12 (0.56) BTKUSP30IDH1ALDH1A1NPC1
SCHEMBL28544916 0.83 CDK12 (0.56) BTKUSP30IDH1ALDH1A1NPC1

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 BTK 2826/4885USP30 1220/4885IDH1 2485/4885

“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.