SCHEMBL29324869

SCHEMBL29324869

N#Cc1ccnc(N2CCCCC2)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PANK3 Q9H999 1/20 0.48
ALDH1A1 P00352 2/20 0.46
MAPK1 P28482 2/20 0.46
NPC1 O15118 1/20 0.46
GALR3 O60755 1/20 0.46
TP53 P04637 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CTSK P43235 1/20 0.45
ACHE P22303 2/20 0.43
HTR1A P08908 4/20 0.43
CTSS P25774 2/20 0.43
ACACB O00763 2/20 0.43
KDM4E B2RXH2 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ROCK2 O75116 1/20 0.41
ROCK1 Q13464 1/20 0.41
CDC42BPA Q5VT25 1/20 0.41

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
SCHEMBL31421020 0.95 PANK3 (0.49) PANK3ALDH1A1MAPK1NPC1GALR3
SCHEMBL30165199 0.83 ADRB1 (0.55) PANK3ALDH1A1CTSKACHEHTR1A
SCHEMBL10845137 0.83 ACHE (0.48) PANK3ALDH1A1CTSKACHEHTR1A
SCHEMBL16432600 0.83 ADRB1 (0.55) PANK3ALDH1A1CTSKACHEHTR1A
SCHEMBL567862 0.83 PIK3CA (0.50) PANK3ALDH1A1MAPK1ACHEACACB
SCHEMBL27227384 0.79 PANK3 (0.60) PANK3ALDH1A1ACHEHTR1ACTSS
SCHEMBL24126678 0.77 ACHE (0.53) PANK3CTSKACHEHTR1ACTSS
SCHEMBL20804981 0.77 PANK3 (0.61) PANK3ALDH1A1ACHEACACBHSD17B10
SCHEMBL29627867 0.77 CTSS (0.44) PANK3ALDH1A1MAPK1CTSKHTR1A
SCHEMBL20064218 0.77 CTSS (0.44) PANK3CTSKHTR1ACTSS

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 PANK3 642/4885ALDH1A1 4692/4885MAPK1 124/4885

“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.