SCHEMBL21530399

SCHEMBL21530399

Cc1ccc(Nc2nc(N)nc(CN3CCc4ccccc4C3)n2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 7/20 0.83
KDM4E B2RXH2 5/20 0.83
HTT P42858 4/20 0.83
ALDH1A1 P00352 6/20 0.79
GAA P10253 2/20 0.69
SMN1; SMN2 Q16637 2/20 0.69
TDP1 Q9NUW8 4/20 0.67
NPSR1 Q6W5P4 1/20 0.67
USP2 O75604 5/20 0.67
L3MBTL1 Q9Y468 4/20 0.67
ALOX15 P16050 2/20 0.67
HSD17B10 Q99714 1/20 0.67
MAPT P10636 4/20 0.62
LMNA P02545 2/20 0.60
CYBB P04839 1/20 0.55
NOX5 Q96PH1 1/20 0.55
NOX3 Q9HBY0 1/20 0.55
NOX4 Q9NPH5 1/20 0.55
NOX1 Q9Y5S8 1/20 0.55
NPC1 O15118 1/20 0.53

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
SCHEMBL29645152 1.00 MAPK1 (0.83) MAPK1KDM4EHTTALDH1A1GAA
SCHEMBL26317575 0.92 SMN1; SMN2 (0.72) MAPK1KDM4EHTTALDH1A1GAA
SCHEMBL29645154 0.83 SMN1; SMN2 (0.62) MAPK1KDM4EHTTALDH1A1GAA
SCHEMBL21530783 0.83 SMN1; SMN2 (0.62) MAPK1KDM4EHTTALDH1A1GAA
SCHEMBL21530421 0.82 SMN1; SMN2 (1.00) MAPK1KDM4EHTTALDH1A1GAA
SCHEMBL26321431 0.81 MAPK1 (0.58) MAPK1KDM4EHTTALDH1A1GAA
SCHEMBL21530456 0.81 ALDH1A1 (0.70) MAPK1KDM4EHTTALDH1A1GAA
SCHEMBL15662302 0.80 MAPT (0.80) MAPK1KDM4EHTTALDH1A1GAA
SCHEMBL20350515 0.80 MAPK1 (0.53) MAPK1KDM4EHTTALDH1A1GAA
SCHEMBL29621850 0.80 MAPK1 (0.53) MAPK1KDM4EHTTALDH1A1GAA

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 MAPK1 4688/4885KDM4E 4446/4885HTT 24/4885
US-20190337922-A1 HETEROARYL COMPOUNDS AND THEIR USE GBA1, GBA2, GAA MAPK1 4688/4885KDM4E 4446/4885HTT 24/4885
US-11174242-B2 Heteroaryl compounds and their use GBA1, GBA2, GAA MAPK1 4688/4885KDM4E 4446/4885HTT 24/4885
US-11739072-B2 Heteroaryl compounds and their use GBA1, GBA2, GAA MAPK1 4688/4885KDM4E 4446/4885HTT 24/4885

“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.