SCHEMBL3963294

SCHEMBL3963294

N#CC=CNc1ccncc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSD P07339 1/20 0.42
MDM2 Q00987 1/20 0.35
RAD52 P43351 1/20 0.34
ALDH1A1 P00352 2/20 0.34
MAP4K4 O95819 2/20 0.33
KDM4E B2RXH2 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
GAA P10253 2/20 0.32
KMT2A Q03164 1/20 0.32
TAAR1 Q96RJ0 1/20 0.31
CYP3A4 P08684 2/20 0.31
LMNA P02545 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
ALOX15 P16050 1/20 0.31
NFKB1 P19838 1/20 0.31
MAPK1 P28482 1/20 0.31
CYP2C19 P33261 1/20 0.31
HIF1A Q16665 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL4967448 0.77 ALDH1A1 (0.46) CTSDALDH1A1KDM4EL3MBTL1GAA
SCHEMBL4967442 0.77 ALDH1A1 (0.46) CTSDALDH1A1KDM4EL3MBTL1GAA
SCHEMBL3954733 0.76 GAA (0.57) ALDH1A1MAP4K4KDM4EL3MBTL1GAA
SCHEMBL12198931 0.75 CTSD (0.48) CTSDMDM2RAD52ALDH1A1KDM4E
SCHEMBL11404052 0.74 MAPT (0.47) ALDH1A1KDM4EGAAKMT2ACYP3A4
SCHEMBL10716543 0.70 CTSD (0.42) CTSDMDM2RAD52ALDH1A1KDM4E
SCHEMBL10863760 0.70 CTSD (0.42) CTSDMDM2RAD52ALDH1A1KDM4E
SCHEMBL11514823 0.69 L3MBTL1 (0.46) ALDH1A1KDM4EL3MBTL1KMT2ACYP3A4
SCHEMBL11514820 0.69 L3MBTL1 (0.46) ALDH1A1KDM4EL3MBTL1KMT2ACYP3A4
SCHEMBL2963146 0.68 KDM4E (0.50) ALDH1A1MAP4K4KDM4EKMT2ACYP3A4

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-7560473-B2 Amine derivative with potassium channel regulatory function, its preparation and use INSTITUTE OF PHARMACOLOGY AND TOXICOLOGY ACADEMY OF MILITARY MEDICAL SCIENCES, P.L.A. (CN) 2009-07-14 US disclosed
US-20040266822-A1 Amine derivative with potassium channel regulatory function, its preparation and use INSTITUTE OF PHARMACOLOGY AND TOXICOLOGY ACADEMY OF MILITARY MEDICAL SCIENCES P.L.A. (CN) 2004-12-30 US disclosed
EP-1386908-A1 AMINE DERIVATIVE WITH POTASSIUM CHANNEL REGULATORY FUNCTION, ITS PREPARATION AND USE Institute of Pharmacology and Toxicology Academy of Military Medical Sciences P.L.A. (CN) 2004-02-04 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 (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-20040266822-A1 Amine derivative with potassium channel regulatory function, its preparation and use KCNMA1, KCNA5, KCNA1 CTSD 4773/4885MDM2 4078/4885RAD52 3526/4885

“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.