SCHEMBL3963290

SCHEMBL3963290

N#C/C=[C]/Nc1ccncc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSD P07339 1/20 0.41
MDM2 Q00987 1/20 0.34
RAD52 P43351 1/20 0.33
KDM4E B2RXH2 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
GAA P10253 2/20 0.31
KMT2A Q03164 1/20 0.31
TAAR1 Q96RJ0 1/20 0.31
CYP3A4 P08684 2/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2C9 P11712 1/20 0.30
ALOX15 P16050 1/20 0.30
NFKB1 P19838 1/20 0.30
MAPK1 P28482 1/20 0.30
CYP2C19 P33261 1/20 0.30
HIF1A Q16665 1/20 0.30
HSD17B10 Q99714 1/20 0.30
ABCC9 O60706 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30

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
SCHEMBL3963291 1.00 CTSD (0.41) CTSDMDM2RAD52KDM4EL3MBTL1
SCHEMBL3954731 0.77 GAA (0.51) KDM4EL3MBTL1GAAKMT2AMAPK1
SCHEMBL3954727 0.77 GAA (0.51) KDM4EL3MBTL1GAAKMT2AMAPK1
SCHEMBL3963215 0.68 PIK3CD (0.35) KDM4E
SCHEMBL27557408 0.68 ALDH1A1 (0.50) KDM4EL3MBTL1GAACYP3A4CYP1A2
SCHEMBL3963294 0.68 CTSD (0.42) CTSDMDM2RAD52KDM4EL3MBTL1
SCHEMBL3962374 0.67 HDAC8 (0.42) KDM4EKMT2AMAPK1ALDH1A1LMNA
SCHEMBL3963260 0.67 HDAC8 (0.42) KDM4EKMT2AMAPK1ALDH1A1LMNA
SCHEMBL5495475 0.66
SCHEMBL1466439 0.66

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.