SCHEMBL5413629

SCHEMBL5413629

[CH](Cc1cccnc1)c1ccccn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.53
RAB9A P51151 3/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
CYP1A2 P05177 3/20 0.51
CYP2D6 P10635 2/20 0.51
ATM Q13315 1/20 0.45
HTT P42858 2/20 0.43
CHRNA7 P36544 1/20 0.42
SERPINE1 P05121 1/20 0.41
LTA4H P09960 1/20 0.41
CHRNB2 P17787 2/20 0.41
CHRNA4 P43681 2/20 0.41
CYP2A6 P11509 2/20 0.41
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
G6PC1 P35575 1/20 0.41
KDM4E B2RXH2 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL56251 0.83 NPC1 (0.54) NPC1RAB9AMEN1KMT2AATM
SCHEMBL11202210 0.81 CYP1A2 (0.50) NPC1RAB9AMEN1KMT2ACYP1A2
SCHEMBL9584872 0.80 CYP11B2 (0.52) CYP1A2CYP2D6CHRNA7LTA4HCHRNB2
SCHEMBL2286074 0.78 CYP1A2 (0.48) NPC1RAB9ACYP1A2CYP2D6CHRNA7
SCHEMBL7705274 0.77 CYP1A2 (0.47) CYP1A2CYP2D6CHRNA7LTA4HCHRNB2
SCHEMBL7452984 0.75 CYP1A2 (0.63) NPC1RAB9AMEN1KMT2ACYP1A2
SCHEMBL9253900 0.74 NFE2L2 (0.47) NPC1RAB9AMEN1KMT2ACYP1A2
SCHEMBL2208034 0.73 CYP11B2 (0.57) NPC1RAB9AMEN1KMT2ACYP1A2
SCHEMBL8668276 0.72 CYP2D6 (0.48) CYP1A2CYP2D6CHRNA7LTA4HCYP11B1
SCHEMBL9433797 0.72 NAPRT (0.51) NPC1RAB9AMEN1KMT2ACYP1A2

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-7163947-B2 1-Amino 1H-imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY (US) 2007-01-16 US disclosed
US-20050054640-A1 1-Amino 1H-imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY 2005-03-10 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-20050054640-A1 1-Amino 1H-imidazoquinolines IL2, IFNG, IL4I1 NPC1 2668/4885RAB9A 2024/4885MEN1 2757/4885

“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.