SCHEMBL5373208

SCHEMBL5373208

OCc1nnc2ccccn12

nearest known ligand 0.71

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.71
ALDH1A1 P00352 4/20 0.71
RAB9A P51151 7/20 0.47
NPC1 O15118 6/20 0.47
HPGD P15428 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
TDP1 Q9NUW8 1/20 0.47
HSD17B10 Q99714 3/20 0.43
KMT2A Q03164 2/20 0.43
GLA P06280 1/20 0.42
GAA P10253 1/20 0.42
CASP1 P29466 1/20 0.42
CASP7 P55210 1/20 0.42
LMNA P02545 3/20 0.42
MAPK1 P28482 1/20 0.42
MEN1 O00255 1/20 0.39
HTR5A P47898 1/20 0.39

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
SCHEMBL7983003 0.85 KDM4E (0.67) KDM4EALDH1A1RAB9ANPC1HPGD
SCHEMBL8350565 0.80 KDM4E (0.71) KDM4EALDH1A1RAB9ANPC1HPGD
SCHEMBL14759162 0.80 KDM4E (0.71) KDM4EALDH1A1RAB9ANPC1HPGD
SCHEMBL5359262 0.80 KDM4E (0.71) KDM4EALDH1A1RAB9ANPC1HPGD
Hydrochloric Acid SCHEMBL14759243 0.78 KDM4E (0.69) KDM4EALDH1A1RAB9ANPC1HPGD
SCHEMBL7980785 0.78 KDM4E (0.62) KDM4EALDH1A1RAB9ANPC1HPGD
SCHEMBL24273206 0.77 KDM4E (0.67) KDM4EALDH1A1RAB9ANPC1HPGD
SCHEMBL24862850 0.77 KDM4E (0.67) KDM4EALDH1A1RAB9ANPC1HPGD
SCHEMBL21577705 0.77 KDM4E (0.61) KDM4EALDH1A1RAB9ANPC1HPGD
SCHEMBL7986855 0.77 KDM4E (0.56) KDM4EALDH1A1RAB9ANPC1HPGD

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118530224-A Pyrimidinone compound and application thereof 深圳安泰维生物医药有限公司 2024-08-23 CN disclosed
EP-2994467-A1 ARYLQUINAZOLINES Merck Patent GmbH (DE) 2016-03-16 EP disclosed
WO-2014183850-A1 ARYLQUINAZOLINES MERCK PATENT GMBH (DE) 2014-11-20 WO disclosed
US-7217711-B2 Piperazin-1-yl and 2-([1,4]diazepan-1-yl)-imidazo[4,5-d]-pyridazin-4-ones, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-05-15 US disclosed
US-20050171093-A1 New piperazin-1-yl and 2-([1,4]diazepan-1-yl)-imidazo[4,5-d]-pyridazin-4-ones, the preparation thereof and their use as pharmaceutial compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-08-04 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-20050171093-A1 New piperazin-1-yl and 2-([1,4]diazepan-1-yl)-imidazo[4,5-d]-pyridazin-4-ones, the preparation thereof and their use as pharmaceutial compositions DPP4, DPP3, DPP7 KDM4E 844/4885ALDH1A1 285/4885RAB9A 3697/4885

“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.