SCHEMBL7650490

SCHEMBL7650490

O=c1[nH]c(-c2ccccc2)nn1-c1ccccc1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK11 Q15759 3/20 0.40
MAPK14 Q16539 3/20 0.40
CDK4 P11802 1/20 0.40
CCND1 P24385 1/20 0.40
CNR1 P21554 1/20 0.39
BCHE P06276 1/20 0.39
MGLL Q99685 1/20 0.39
BTK Q06187 1/20 0.39
HCAR1 Q9BXC0 2/20 0.38
TNKS O95271 1/20 0.38
PARP1 P09874 1/20 0.38
TNKS2 Q9H2K2 1/20 0.38
ADORA3 P0DMS8 2/20 0.38
HTR1A P08908 1/20 0.37
DRD2 P14416 1/20 0.37
DRD1 P21728 1/20 0.37
ADRA1D P25100 1/20 0.37
ADRA1A P35348 1/20 0.37
ADRA1B P35368 1/20 0.37
KDM4E B2RXH2 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
SCHEMBL7651289 0.85 MAPT (0.44) CDK4CCND1TNKSTNKS2ADORA3
SCHEMBL10593112 0.84 GUSB (0.47) MAPK11MAPK14CDK4CCND1MGLL
SCHEMBL7654345 0.81 GAA (0.40) MGLLBTKHCAR1TNKSPARP1
SCHEMBL7652334 0.81 HCAR1 (0.39) MGLLBTKHCAR1TNKSPARP1
SCHEMBL7652867 0.81 ALDH1A1 (0.48) MGLLBTKHCAR1TNKSPARP1
SCHEMBL7654102 0.80 ADORA2B (0.41) MGLLBTKHCAR1TNKSPARP1
SCHEMBL7650664 0.78 ADORA3 (0.44) MAPK14BTKTNKSPARP1TNKS2
SCHEMBL7654423 0.78 ALDH1A1 (0.47) TNKSTNKS2ADORA3KDM4EALDH1A1
SCHEMBL7656767 0.78 GAA (0.54) MAPK11MAPK14KDM4EALDH1A1
SCHEMBL7657329 0.78 ADORA3 (0.54) MGLLHCAR1TNKSTNKS2ADORA3

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 MAPK11 2021/4885MAPK14 1293/4885CDK4 1748/4885

“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.