SCHEMBL27430993

SCHEMBL27430993

CCCc1cnc2nc[nH]c2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLA1 P09884 1/20 0.39
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35
ALDH1A1 P00352 1/20 0.34
KDM4E B2RXH2 1/20 0.34
NPC1 O15118 1/20 0.34
TP53 P04637 1/20 0.34
PKM P14618 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HSD17B10 Q99714 1/20 0.34
BRAF P15056 2/20 0.34
NOS3 P29474 1/20 0.34
NOS1 P29475 1/20 0.34
NOS2 P35228 1/20 0.34
BRD4 O60885 1/20 0.32
ALOX5AP P20292 1/20 0.32
FEN1 P39748 1/20 0.32
HTT P42858 2/20 0.32

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
SCHEMBL18393529 0.88 POLA1 (0.45) POLA1NPC1RAB9ASMN1; SMN2NOS3
SCHEMBL20889598 0.85 ALDH1A1 (0.36) POLA1ALDH1A1KDM4ENPC1TP53
SCHEMBL7214964 0.78 ALDH1A1 (0.40) ALDH1A1KDM4EPKMBRAFBRD4
SCHEMBL4235012 0.78 KDM4E (0.36) ALDH1A1KDM4EPKMBRAFBRD4
SCHEMBL23420495 0.77 MME (0.34) POLA1ALDH1A1KDM4EBRD4ALOX5AP
SCHEMBL29658121 0.74 ALDH1A1 (0.33) ALDH1A1KDM4EBRD4ALOX5APFEN1
SCHEMBL9222951 0.71 QPCT (0.50) HTR2AHTR2CKDM4EPKM
SCHEMBL29623085 0.71 KDM4E (0.39) ALDH1A1KDM4ENOS3NOS1NOS2
SCHEMBL8367003 0.71 KDM4E (0.39) ALDH1A1KDM4ENOS3NOS1NOS2
SCHEMBL28013794 0.70 ALOX5AP (0.31) ALOX5APFEN1

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-20240208923-A1 SMALL MOLECULE INHIBITORS OF MAMMALIAN SLC6A19 FUNCTION JNANA THERAPEUTICS INC. 2024-06-27 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-20240208923-A1 SMALL MOLECULE INHIBITORS OF MAMMALIAN SLC6A19 FUNCTION SLC18A2, SLC6A19, SLC1A1 POLA1 2525/4885HTR2A 845/4885HTR2C 1655/4885

“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.