SCHEMBL14701752

SCHEMBL14701752

COc1ccc2nc(C(C)C)cn2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.49
ALDH1A3 P47895 6/20 0.47
MCHR1 Q99705 1/20 0.40
KDM4E B2RXH2 4/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
PKM P14618 2/20 0.39
EPHX2 P34913 1/20 0.39
ALDH1A1 P00352 3/20 0.37
GAA P10253 2/20 0.37
POLB P06746 1/20 0.37
SCN10A Q9Y5Y9 1/20 0.36
EGLN1 Q9GZT9 1/20 0.36
METTL3 Q86U44 1/20 0.35
TLR9 Q9NR96 2/20 0.35
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2A6 P11509 1/20 0.33
TLR7 Q9NYK1 1/20 0.33

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
SCHEMBL10022336 0.78 NPC1 (0.52) APPALDH1A3MCHR1KDM4ENPC1
SCHEMBL23571668 0.77 MCHR1 (0.38) ALDH1A3MCHR1KDM4ENPC1RAB9A
SCHEMBL4067072 0.77 APP (0.53) APPALDH1A3KDM4ENPC1RAB9A
SCHEMBL798511 0.77 MCHR1 (0.45) APPALDH1A3MCHR1KDM4ENPC1
SCHEMBL14701750 0.75 MCHR1 (0.41) APPALDH1A3MCHR1KDM4ENPC1
SCHEMBL22129373 0.75 PIK3CG (0.55) APPALDH1A3KDM4ENPC1RAB9A
SCHEMBL12197120 0.75 APP (0.46) APPALDH1A3MCHR1KDM4ENPC1
SCHEMBL2970213 0.75 APP (0.55) APPALDH1A3KDM4ENPC1RAB9A
SCHEMBL16386820 0.75 RAB9A (0.51) APPMCHR1KDM4ENPC1RAB9A
SCHEMBL27037517 0.75 APP (0.51) APPALDH1A3KDM4ENPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019028362-A1 INHIBITORS OF PLASMA KALLIKREIN AND USES THEREOF DYAX CORP. (US) 2019-02-07 WO disclosed
US-9284350-B2 IAP BIR domain binding compounds PHARMASCIENCE INC. (CA) 2016-03-15 US disclosed
US-20130040892-A1 IAP BIR DOMAIN BINDING COMPOUNDS PHARMASCIENCE INC. (CA) 2013-02-14 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-20130040892-A1 IAP BIR DOMAIN BINDING COMPOUNDS BIRC5, BIRC2, BIRC3 APP 469/4885ALDH1A3 4673/4885MCHR1 4381/4885

“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.