SCHEMBL15747655

SCHEMBL15747655

N=C(N)c1cnc2ccccn12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.53
RAB9A P51151 1/20 0.53
EPHB3 P54753 1/20 0.49
NPSR1 Q6W5P4 2/20 0.47
TGFBR1 P36897 1/20 0.46
MIF P14174 1/20 0.44
FLT3 P36888 1/20 0.44
PKM P14618 1/20 0.43
ADORA2A P29274 3/20 0.42
PLAU P00749 2/20 0.42
ADORA3 P0DMS8 1/20 0.42
GGPS1 O95749 1/20 0.41
FDPS P14324 1/20 0.41
SLC27A1 Q6PCB7 1/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GLA P06280 1/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
CASP1 P29466 1/20 0.39

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
SCHEMBL2017759 0.84 NPC1 (0.59) NPC1RAB9AEPHB3NPSR1TGFBR1
SCHEMBL31734376 0.84 NPC1 (0.51) NPC1RAB9AEPHB3NPSR1MIF
Hydrochloric Acid SCHEMBL29440777 0.82 NPC1 (0.57) NPC1RAB9AEPHB3NPSR1TGFBR1
SCHEMBL31734396 0.80 NPC1 (0.51) NPC1RAB9AEPHB3NPSR1MIF
SCHEMBL23874273 0.78 NPC1 (0.54) NPC1RAB9AEPHB3NPSR1MIF
Formic Acid SCHEMBL30211928 0.78 NPC1 (0.54) NPC1RAB9AEPHB3NPSR1TGFBR1
Phosphoric Acid SCHEMBL29440774 0.78 NPC1 (0.54) NPC1RAB9AEPHB3NPSR1TGFBR1
SCHEMBL14756611 0.78 NPC1 (0.53) NPC1RAB9AEPHB3NPSR1MIF
SCHEMBL496758 0.78 NPC1 (0.60) NPC1RAB9AEPHB3NPSR1TGFBR1
SCHEMBL3549382 0.76 NPC1 (0.59) NPC1RAB9AEPHB3NPSR1MIF

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-20150315182-A1 SUBSTITUTED REVERSE PYRIMIDINE BMI-1 INHIBITORS PTC THERAPEUTICS, INC. 2015-11-05 US disclosed
WO-2015091531-A1 IMIDAZOLOPYRIMIDIN-2-YL DERIVATIVES AS JAK INHIBITORS ALMIRALL, S.A. (ES) 2015-06-25 WO disclosed
WO-2014081906-A2 SUBSTITUTED REVERSE PYRIMIDINE BMI-1 INHIBITORS PTC THERAPEUTICS, INC. (US) 2014-05-30 WO 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-20150315182-A1 SUBSTITUTED REVERSE PYRIMIDINE BMI-1 INHIBITORS BMI1, BRPF3, BAZ2A NPC1 2830/4885RAB9A 2804/4885EPHB3 2728/4885

“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.