SCHEMBL21530396

SCHEMBL21530396

CN(Cc1ccccc1)Cc1nc(N)nc(Nc2cccc(C#N)c2)n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.52
NPC1 O15118 5/20 0.46
RAB9A P51151 5/20 0.46
NOD1 Q9Y239 2/20 0.46
MAPT P10636 3/20 0.45
HTT P42858 2/20 0.45
KMT2A Q03164 1/20 0.45
ALDH1A1 P00352 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
POLB P06746 1/20 0.43
SLC2A1 P11166 2/20 0.43
USP2 O75604 1/20 0.42
ADORA2B P29275 1/20 0.42
ADORA1 P30542 1/20 0.42
JAK2 O60674 1/20 0.41
TNF P01375 1/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ABCG2 Q9UNQ0 2/20 0.41
CYP1A2 P05177 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
SCHEMBL21530410 0.88 MCHR1 (0.49) MCHR1NPC1RAB9AMAPTHTT
SCHEMBL24403005 0.86 MCHR1 (0.40) MCHR1NPC1RAB9ANOD1MAPT
SCHEMBL26317580 0.85 NPC1 (0.56) MCHR1NPC1RAB9ANOD1MAPT
SCHEMBL24019187 0.85 NPC1 (0.61) MCHR1NPC1RAB9ANOD1MAPT
SCHEMBL21530400 0.85 MCHR1 (0.49) MCHR1NPC1RAB9ANOD1MAPT
SCHEMBL29621800 0.85 MCHR1 (0.49) MCHR1NPC1RAB9ANOD1MAPT
SCHEMBL21530457 0.84 RAB9A (0.65) MCHR1NPC1RAB9ANOD1MAPT
SCHEMBL29621779 0.84 RAB9A (0.65) MCHR1NPC1RAB9ANOD1MAPT
SCHEMBL24019190 0.84 MCHR1 (0.54) MCHR1NPC1RAB9ANOD1MAPT
SCHEMBL29621902 0.84 MCHR1 (0.54) MCHR1NPC1RAB9ANOD1MAPT

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 9 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-11739072-B2 Heteroaryl compounds and their use MINORYX THERAPEUTICS S.L. (ES) 2023-08-29 US disclosed
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
US-20220135535-A1 HETEROARYL COMPOUNDS AND THEIR USE MINORYX THERAPEUTICS S.L. (ES) 2022-05-05 US disclosed
EP-3562811-B1 HETEROARYL COMPOUNDS AND THEIR USE MINORYX THERAPEUTICS S L (ES) 2022-03-16 EP disclosed
US-11174242-B2 Heteroaryl compounds and their use MINORYX THERAPEUTICS S.L. (ES) 2021-11-16 US disclosed
US-11174242-B2 Heteroaryl compounds and their use MINORYX THERAPEUTICS S.L. (ES) 2021-11-16 US disclosed
US-20190337922-A1 HETEROARYL COMPOUNDS AND THEIR USE MINORYX THERAPEUTICS S.L. (ES) 2019-11-07 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 (4 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 MCHR1 1729/4885NPC1 16/4885RAB9A 83/4885
US-20190337922-A1 HETEROARYL COMPOUNDS AND THEIR USE GBA1, GBA2, GAA MCHR1 1729/4885NPC1 16/4885RAB9A 83/4885
US-11174242-B2 Heteroaryl compounds and their use GBA1, GBA2, GAA MCHR1 1729/4885NPC1 16/4885RAB9A 83/4885
US-11739072-B2 Heteroaryl compounds and their use GBA1, GBA2, GAA MCHR1 1729/4885NPC1 16/4885RAB9A 83/4885

“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.