SCHEMBL31298071

SCHEMBL31298071

CC1CN(C(=N)NC(=O)c2ccccc2)CC(C)N1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.43
ALOX5 P09917 1/20 0.39
RAB9A P51151 4/20 0.38
NPC1 O15118 2/20 0.38
ALDH1A1 P00352 3/20 0.38
CTSL P07711 1/20 0.38
CTSB P07858 1/20 0.38
CTSK P43235 1/20 0.38
ACHE P22303 1/20 0.38
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
DRD4 P21917 1/20 0.38

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
SCHEMBL31297972 0.85 HRH4 (0.45) GAAALOX5RAB9ACTSLCTSB
SCHEMBL31298102 0.81 GAA (0.44) GAAALOX5RAB9ANPC1ALDH1A1
SCHEMBL31298060 0.78 SIGMAR1 (0.58) GAAALOX5RAB9AALDH1A1TSHR
SCHEMBL10293597 0.77 CHRNB2 (0.60) GAAALDH1A1ACHEHPGDHSD17B10
SCHEMBL14304554 0.77 CHRNB2 (0.60) GAAALDH1A1ACHEHPGDHSD17B10
SCHEMBL31298053 0.76 KDM1A (0.48) GAA
SCHEMBL31298011 0.75 L3MBTL3 (0.52) GAAACHEDRD4
SCHEMBL31298051 0.75 KMT2A (0.62) GAAALOX5RAB9ANPC1ALDH1A1
SCHEMBL6403300 0.74 GAA (0.47) GAAALOX5RAB9ANPC1CTSL
SCHEMBL31298017 0.73 OPRD1 (0.47) ALDH1A1ACHEHPGD

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-20250043353-A1 BIOMARKERS OF RESPONSE TO SELECTIVE INHIBITORS OF AURORA A KINASE MILLENNIUM PHARM INC (US) 2025-02-06 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-20250043353-A1 BIOMARKERS OF RESPONSE TO SELECTIVE INHIBITORS OF AURORA A KINASE WNT1, XPOT, CTNNBL1 GAA 4758/4885ALOX5 4736/4885RAB9A 3071/4885

“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.