SCHEMBL29645148

SCHEMBL29645148

Cc1ccc(Nc2nc(N)nc(CN(C)c3ccc4ccccc4c3)n2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.54
RAB9A P51151 7/20 0.54
JAK2 O60674 2/20 0.54
MAPT P10636 4/20 0.54
L3MBTL1 Q9Y468 4/20 0.54
MAPK1 P28482 2/20 0.54
NOD1 Q9Y239 2/20 0.54
TNF P01375 1/20 0.54
SMN1; SMN2 Q16637 5/20 0.51
HTT P42858 3/20 0.51
MEN1 O00255 2/20 0.49
LMNA P02545 2/20 0.49
KMT2A Q03164 2/20 0.49
ADORA2A P29274 1/20 0.47
GAA P10253 4/20 0.47
FFAR1 O14842 1/20 0.46
FFAR4 Q5NUL3 1/20 0.46
TP53 P04637 2/20 0.46
POLB P06746 1/20 0.46
USP2 O75604 1/20 0.45

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
SCHEMBL21530465 1.00 NPC1 (0.54) NPC1RAB9AJAK2MAPTL3MBTL1
SCHEMBL21530398 0.87 NPC1 (0.60) NPC1RAB9AJAK2MAPTL3MBTL1
SCHEMBL21530447 0.78 NPC1 (0.60) NPC1RAB9AJAK2MAPTL3MBTL1
SCHEMBL24019176 0.77 ALDH1A1 (0.64) NPC1RAB9AJAK2MAPTL3MBTL1
SCHEMBL26317585 0.73 NPC1 (0.56) NPC1RAB9AJAK2MAPTL3MBTL1
SCHEMBL26317570 0.72 MCHR1 (0.55) NPC1RAB9AJAK2MAPTL3MBTL1
SCHEMBL24019174 0.72 NPC1 (0.67) NPC1RAB9AJAK2MAPTL3MBTL1
SCHEMBL21530417 0.72 RAB9A (0.59) NPC1RAB9AJAK2MAPTL3MBTL1
SCHEMBL21530413 0.71 NPC1 (0.54) NPC1RAB9AJAK2MAPTL3MBTL1
SCHEMBL10016367 0.71 RAB9A (0.64) NPC1RAB9AJAK2MAPTL3MBTL1

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-11739072-B2 Heteroaryl compounds and their use MINORYX THERAPEUTICS S.L. (ES) 2023-08-29 US disclosed
US-20220135535-A1 HETEROARYL COMPOUNDS AND THEIR USE MINORYX THERAPEUTICS S.L. (ES) 2022-05-05 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 (2 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-20220135535-A1 HETEROARYL COMPOUNDS AND THEIR USE GBA1, GBA2, GAA NPC1 16/4885RAB9A 83/4885JAK2 2655/4885
US-11739072-B2 Heteroaryl compounds and their use GBA1, GBA2, GAA NPC1 16/4885RAB9A 83/4885JAK2 2655/4885

“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.