SCHEMBL29324698

SCHEMBL29324698

N#Cc1ncnc(N2CCCCC2)n1

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.61
MAPK1 P28482 2/20 0.61
GALR3 O60755 2/20 0.61
RAB9A P51151 2/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
NPC1 O15118 1/20 0.61
TP53 P04637 1/20 0.61
KDM4E B2RXH2 1/20 0.54
HSD17B10 Q99714 1/20 0.54
LMNA P02545 2/20 0.51
GAA P10253 1/20 0.51
TSHR P16473 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
CTSK P43235 4/20 0.46
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
CTSL P07711 1/20 0.37
CTSB P07858 1/20 0.37
CTSS P25774 1/20 0.37

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
SCHEMBL27226426 0.83 CTSK (0.50) ALDH1A1MAPK1GALR3RAB9ASMN1; SMN2
SCHEMBL9029494 0.80 SMN1; SMN2 (0.52) ALDH1A1MAPK1GALR3RAB9ASMN1; SMN2
SCHEMBL6266358 0.79 ALDH1A1 (0.96) ALDH1A1MAPK1GALR3RAB9ASMN1; SMN2
SCHEMBL6235670 0.79 ALDH1A1 (0.96) ALDH1A1MAPK1GALR3RAB9ASMN1; SMN2
SCHEMBL27226233 0.77 ALDH1A1 (0.42) ALDH1A1MAPK1GALR3RAB9ASMN1; SMN2
SCHEMBL29324788 0.73 NPC1 (0.35) ALDH1A1MAPK1GALR3RAB9ASMN1; SMN2
SCHEMBL27226185 0.72 CHRNB2 (0.37) ALDH1A1MAPK1GALR3RAB9ASMN1; SMN2
SCHEMBL27227478 0.72 ALDH1A1 (0.34) ALDH1A1MAPK1GALR3RAB9ASMN1; SMN2
SCHEMBL17784880 0.72 ALDH1A1 (0.44) ALDH1A1MAPK1RAB9ASMN1; SMN2NPC1
SCHEMBL28256286 0.72 ALDH1A1 (0.44) ALDH1A1RAB9ASMN1; SMN2NPC1KDM4E

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-20240239797-A1 AKT1 MODULATORS ALTEROME 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-20240239797-A1 AKT1 MODULATORS AKT1S1, AKT1, AKT2 ALDH1A1 4692/4885MAPK1 124/4885GALR3 3675/4885

“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.