SCHEMBL14701600

SCHEMBL14701600

CC(=O)Nc1ccc2nc(C(C)C)cn2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 3/20 0.59
KDM4E B2RXH2 8/20 0.58
NPC1 O15118 7/20 0.58
RAB9A P51151 7/20 0.58
ALDH1A1 P00352 7/20 0.58
SMN1; SMN2 Q16637 6/20 0.58
HPGD P15428 4/20 0.58
POLB P06746 1/20 0.58
NFKB1 P19838 1/20 0.58
NFKB2 Q00653 1/20 0.58
RELA Q04206 1/20 0.58
TDP1 Q9NUW8 1/20 0.43
GAA P10253 2/20 0.41
SCN10A Q9Y5Y9 1/20 0.41
MEN1 O00255 4/20 0.41
MAPT P10636 4/20 0.41
KMT2A Q03164 4/20 0.41
GLA P06280 2/20 0.41
HTT P42858 1/20 0.41
L3MBTL1 Q9Y468 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
SCHEMBL14704055 0.80 ALDH1A1 (0.62) MCHR1KDM4ENPC1RAB9AALDH1A1
SCHEMBL4456766 0.78 MCHR1 (0.81) MCHR1NPC1RAB9ATDP1MEN1
SCHEMBL3367631 0.77 NPC1 (0.63) KDM4ENPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL4471434 0.75 MCHR1 (1.00) MCHR1
SCHEMBL25746053 0.75 SMN1; SMN2 (0.57) KDM4ENPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL13920891 0.74 MCHR1 (0.62) MCHR1NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL13920890 0.74 MCHR1 (0.62) MCHR1SMN1; SMN2
SCHEMBL2127866 0.74 NPC1 (0.76) KDM4ENPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL10022335 0.74 MCHR1 (0.51) MCHR1KDM4ENPC1RAB9AALDH1A1
SCHEMBL10022336 0.73 NPC1 (0.52) MCHR1KDM4ENPC1RAB9AALDH1A1

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
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
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 MCHR1 4381/4885KDM4E 3728/4885NPC1 818/4885

“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.