SCHEMBL7652478

SCHEMBL7652478

CN(C)CCn1c(-c2ccccc2)nn(-c2cccc(F)c2)c1=O

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSK P43235 3/20 0.48
DHODH Q02127 3/20 0.44
ADORA3 P0DMS8 2/20 0.39
GNRHR P30968 1/20 0.39
MAPT P10636 2/20 0.39
THRB P10828 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
ROCK2 O75116 2/20 0.38
RIPK1 Q13546 1/20 0.38
PADI4 Q9UM07 1/20 0.37

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
SCHEMBL7652922 0.88 CTSK (0.50) CTSKADORA3ADORA2AADORA1
SCHEMBL7656086 0.88 CTSK (0.45) CTSKADORA3ADORA2AADORA1ROCK2
SCHEMBL7649212 0.87 CTSK (0.47) CTSKGNRHRMAPTRXFP1ADORA2A
SCHEMBL7652889 0.85 CTSK (0.45) CTSKADORA3GNRHRMAPTADORA2A
Dimethylamine SCHEMBL7652490 0.81 DHODH (0.52) CTSKDHODHADORA3MAPTTHRB
SCHEMBL7652516 0.81 CTSK (0.46) CTSK
SCHEMBL7650966 0.80 ADORA3 (0.45) CTSKDHODHADORA3MAPTADORA2A
SCHEMBL7653733 0.80 NPC1 (0.40) CTSKADORA3GNRHRMAPT
SCHEMBL7679154 0.78 ALDH1A1 (0.46) CTSKADORA3MAPTROCK2
SCHEMBL7655384 0.77 HPGD (0.43) ADORA3ADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6492407-B2 NEUROPROTECTIVE ACTIVITY BOEHRINGER IMGELHEIM PHARMA KG (DE) 2002-12-10 US claimed
US-20020045651-A1 Pharmaceutical compositions containing triazolones and methods of treating neurodegenerative disease using triazolones BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-04-18 US claimed
US-6492407-B2 NEUROPROTECTIVE ACTIVITY BOEHRINGER IMGELHEIM PHARMA KG (DE) 2002-12-10 US disclosed
US-20020045651-A1 Pharmaceutical compositions containing triazolones and methods of treating neurodegenerative disease using triazolones BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-04-18 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-20020045651-A1 Pharmaceutical compositions containing triazolones and methods of treating neurodegenerative disease using triazolones PARK7, IAPP, HIF1AN CTSK 1300/4885DHODH 3668/4885ADORA3 1892/4885

“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.