SCHEMBL26321431

SCHEMBL26321431

Cc1ccc(Nc2nc(CN3CCc4ccccc4C3)nc(N[n+]3c(CN4CCN(c5ccccc5)CC4)nc(N)nc3Nc3ccc(C)cc3)n2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 6/20 0.58
HTT P42858 3/20 0.58
KDM4E B2RXH2 3/20 0.58
ALDH1A1 P00352 5/20 0.55
MAPT P10636 8/20 0.52
USP2 O75604 7/20 0.52
GAA P10253 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
MEN1 O00255 1/20 0.51
XBP1 P17861 1/20 0.51
KMT2A Q03164 1/20 0.51
CYBB P04839 2/20 0.50
NOX4 Q9NPH5 2/20 0.50
NOX5 Q96PH1 1/20 0.50
NOX3 Q9HBY0 1/20 0.50
NOX1 Q9Y5S8 1/20 0.50
TDP1 Q9NUW8 2/20 0.49
LMNA P02545 2/20 0.48
NPSR1 Q6W5P4 1/20 0.47
L3MBTL1 Q9Y468 4/20 0.47

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 0.81 MAPK1 (0.83) MAPK1HTTKDM4EALDH1A1MAPT
SCHEMBL21530399 0.81 MAPK1 (0.83) MAPK1HTTKDM4EALDH1A1MAPT
SCHEMBL15662302 0.79 MAPT (0.80) MAPK1HTTKDM4EALDH1A1MAPT
SCHEMBL26317575 0.74 SMN1; SMN2 (0.72) MAPK1HTTKDM4EALDH1A1MAPT
SCHEMBL15658933 0.72 MAPT (0.84) MAPK1HTTKDM4EALDH1A1MAPT
SCHEMBL24019198 0.72 MAPT (0.77) MAPK1HTTKDM4EALDH1A1MAPT
SCHEMBL21530421 0.69 SMN1; SMN2 (1.00) MAPK1HTTKDM4EALDH1A1MAPT
SCHEMBL21530475 0.68 MAPT (0.85) MAPK1HTTALDH1A1MAPTUSP2
SCHEMBL30100838 0.68 CYBB (1.00) MAPK1HTTALDH1A1MAPTUSP2
SCHEMBL17999762 0.68 CYBB (1.00) MAPK1HTTALDH1A1MAPTUSP2

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 1 patent. 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

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-11739072-B2 Heteroaryl compounds and their use GBA1, GBA2, GAA MAPK1 4688/4885HTT 24/4885KDM4E 4446/4885

“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.