SCHEMBL29621850

SCHEMBL29621850

Cc1ccc(Nc2cc(CN3CCc4ccccc4C3)nc(N)n2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 5/20 0.53
KDM4E B2RXH2 3/20 0.53
HTT P42858 1/20 0.53
ALDH1A1 P00352 2/20 0.52
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
LMNA P02545 1/20 0.47
NOD1 Q9Y239 1/20 0.47
GAA P10253 3/20 0.46
NPSR1 Q6W5P4 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
OPRM1 P35372 1/20 0.46
OPRK1 P41145 1/20 0.46
USP2 O75604 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
ALOX15 P16050 1/20 0.46
HSD17B10 Q99714 1/20 0.46
DHFR P00374 1/20 0.45
TAAR1 Q96RJ0 1/20 0.44

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
SCHEMBL20350515 1.00 MAPK1 (0.53) MAPK1KDM4EHTTALDH1A1MEN1
SCHEMBL24019170 0.88 KDM4E (0.48) MAPK1KDM4EHTTALDH1A1MEN1
SCHEMBL21530399 0.80 MAPK1 (0.83) MAPK1KDM4EHTTALDH1A1SMN1; SMN2
SCHEMBL29645152 0.80 MAPK1 (0.83) MAPK1KDM4EHTTALDH1A1SMN1; SMN2
SCHEMBL29621884 0.79 NUDT1 (0.47) MAPK1KDM4EHTTALDH1A1MEN1
SCHEMBL20355257 0.79 NUDT1 (0.47) MAPK1KDM4EHTTALDH1A1MEN1
SCHEMBL20339013 0.77 DHFR (0.54) MAPK1KDM4EHTTALDH1A1MEN1
SCHEMBL20355320 0.71 CYP1A2 (0.39) KDM4EHTTMEN1KMT2ASMN1; SMN2
SCHEMBL20355505 0.71 CYP1A2 (0.39) KDM4EHTTMEN1KMT2ALMNA
SCHEMBL29622006 0.71 CYP1A2 (0.39) KDM4EHTTMEN1KMT2ALMNA

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-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
EP-3562811-B1 HETEROARYL COMPOUNDS AND THEIR USE MINORYX THERAPEUTICS S L (ES) 2022-03-16 EP 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 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.