SCHEMBL3716787

SCHEMBL3716787

Nc1n[nH]c2nc(-c3ccccc3)nc(N)c12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.46
LMNA P02545 2/20 0.46
RAB9A P51151 2/20 0.46
NR1H2 P55055 1/20 0.46
NR1H3 Q13133 1/20 0.46
ADORA2A P29274 4/20 0.46
ADORA1 P30542 3/20 0.46
POLB P06746 1/20 0.46
ADORA3 P0DMS8 1/20 0.46
ADORA2B P29275 1/20 0.46
NPSR1 Q6W5P4 2/20 0.44
JAK2 O60674 1/20 0.44
DPP4 P27487 1/20 0.44
MAPK1 P28482 1/20 0.43
KMT2A Q03164 4/20 0.42
AKT2 P31751 1/20 0.42
MEN1 O00255 3/20 0.42
HTT P42858 1/20 0.42
HSD17B10 Q99714 1/20 0.41
KDM4E B2RXH2 2/20 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
SCHEMBL18040266 0.87 DPP4 (0.49) NPC1LMNARAB9AADORA2AADORA1
SCHEMBL3602136 0.82 ABCG2 (0.47) NPC1LMNARAB9APOLBKMT2A
SCHEMBL2374238 0.78 DHFR (0.44) NPC1RAB9AADORA2AADORA1POLB
SCHEMBL8402104 0.77 BTK (0.58) DPP4
SCHEMBL3415833 0.76 MAPT (0.52) NPC1LMNARAB9ANR1H2NR1H3
SCHEMBL3600310 0.76 ABCG2 (0.52) NPC1LMNARAB9ANR1H2NR1H3
SCHEMBL3413002 0.76 ABCG2 (0.54) LMNADPP4MAPK1KMT2AMEN1
SCHEMBL3409105 0.76 ABCG2 (0.52) NPC1RAB9ANR1H2NR1H3POLB
SCHEMBL7255671 0.75 HPGDS (0.49) NPC1LMNARAB9ANR1H2NR1H3
SCHEMBL4753476 0.75 CHUK (0.51) NPC1LMNARAB9AADORA2AADORA1

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-20100331297-A1 MODULATION OF PROTEIN TRAFFICKING FOLDRX PHARMACEUTICALS, INC. (US) 2010-12-30 US disclosed
EP-2217239-A2 MODULATION OF PROTEIN TRAFFICKING Foldrx Pharmaceuticals, Inc. (US) 2010-08-18 EP disclosed
WO-2009062118-A2 MODULATION OF PROTEIN TRAFFICKING FOLDRX PHARMACEUTICALS, INC. (US) 2009-05-14 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-20100331297-A1 MODULATION OF PROTEIN TRAFFICKING RAB1A, COPB1, GOLT1B NPC1 9/4885LMNA 3353/4885RAB9A 39/4885

“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.