SCHEMBL596363

SCHEMBL596363

CC(c1cnc(Cl)cc1I)N1CCN(C(=O)O)CC1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
HRH3 Q9Y5N1 7/20 0.33
PANK3 Q9H999 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
ATM Q13315 1/20 0.33
OGA O60502 4/20 0.32
CYP3A4 P08684 1/20 0.32
CYP3A5 P20815 1/20 0.32
LMNA P02545 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
RAB9A P51151 1/20 0.32
SCN5A Q14524 1/20 0.31
SCN9A Q15858 1/20 0.31

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
SCHEMBL25235166 0.76 ALDH1A1 (0.46) ALDH1A1PANK3MEN1KMT2AATM
SCHEMBL594933 0.72 L3MBTL1 (0.36) MEN1KMT2ALMNARAB9A
SCHEMBL3628852 0.70 MEN1 (0.37) MEN1KMT2AATMLMNA
SCHEMBL593900 0.68 PDE2A (0.33)
SCHEMBL2925593 0.66 ALDH1A1 (0.53) ALDH1A1MEN1KMT2ALMNANPSR1
SCHEMBL1514828 0.65 MC4R (0.47) ALDH1A1HRH3MEN1KMT2A
SCHEMBL1514935 0.65 OGA (0.41) ALDH1A1HRH3KMT2AOGALMNA
SCHEMBL3106200 0.65 ALDH1A1 (0.43) ALDH1A1OGA
SCHEMBL27571753 0.64 CYP2D6 (0.71) ALDH1A1MEN1KMT2ANPSR1
SCHEMBL208307 0.64 ALDH1A1 (0.51) ALDH1A1HRH3KMT2AOGA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8114872-B2 Triazolyl aminopyrimidine compounds ELI LILLY AND COMPANY (US) 2012-02-14 US disclosed
US-20100130466-A1 TRIAZOLYL AMINOPYRIMIDINE COMPOUNDS ELI LILLY AND COMPANY 2010-05-27 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-20100130466-A1 TRIAZOLYL AMINOPYRIMIDINE COMPOUNDS DPYD, TP53, TYMP ALDH1A1 578/4885HRH3 3703/4885PANK3 377/4885

“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.