SCHEMBL3580195

SCHEMBL3580195

O=[N+]([O-])c1c[nH]nc1-n1cccn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 12/20 0.40
MEN1 O00255 8/20 0.37
MAPT P10636 8/20 0.37
KMT2A Q03164 8/20 0.37
LMNA P02545 4/20 0.37
HTT P42858 1/20 0.37
MDM2 Q00987 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
RAB9A P51151 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
KDM4A O75164 1/20 0.35
KDM4B O94953 1/20 0.35
KDM5C P41229 1/20 0.35
KDM5B Q9UGL1 1/20 0.35
ADORA2A P29274 2/20 0.33
ADORA3 P0DMS8 1/20 0.33
ADORA2B P29275 1/20 0.33
ADORA1 P30542 1/20 0.33
PDE4B Q07343 1/20 0.33
KDM4E B2RXH2 3/20 0.33

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
SCHEMBL8675692 0.74 CYP1A2 (0.56) ALDH1A1MEN1MAPTKMT2ALMNA
SCHEMBL13314707 0.73 L3MBTL1 (0.40) ALDH1A1MEN1MAPTKMT2ALMNA
SCHEMBL3582505 0.73 ADORA2A (0.44) ALDH1A1MEN1MAPTKMT2ALMNA
SCHEMBL30426426 0.70 ALDH1A1 (0.52) ALDH1A1MEN1MAPTKMT2ALMNA
SCHEMBL5242261 0.70 ALDH1A1 (0.52) ALDH1A1MEN1MAPTKMT2ALMNA
SCHEMBL27732517 0.70 ALDH1A1 (0.44) ALDH1A1MEN1MAPTKMT2ALMNA
SCHEMBL1763428 0.70 ALDH1A1 (0.37) ALDH1A1MEN1MAPTKMT2ALMNA
SCHEMBL9942591 0.70 ALDH1A1 (0.37) ALDH1A1MEN1MAPTKMT2ALMNA
SCHEMBL31056736 0.68 ALDH1A1 (0.44) ALDH1A1MEN1MAPTKMT2ALMNA
SCHEMBL31056766 0.68 ALDH1A1 (0.43) ALDH1A1MEN1MAPTKMT2ALMNA

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
US-20100160324-A1 PYRAZOLE DERIVATIVES AS THAT MODULATE THE ACTIVITY OF CDK, GSK AND AURORA KINASES ASTEX THERAPEUTICS LIMITED (GB) 2010-06-24 US disclosed
US-20100160324-A1 PYRAZOLE DERIVATIVES AS THAT MODULATE THE ACTIVITY OF CDK, GSK AND AURORA KINASES ASTEX THERAPEUTICS LIMITED (GB) 2010-06-24 US disclosed
US-20100160324-A1 PYRAZOLE DERIVATIVES AS THAT MODULATE THE ACTIVITY OF CDK, GSK AND AURORA KINASES ASTEX THERAPEUTICS LIMITED (GB) 2010-06-24 US disclosed
EP-1836188-A1 PYRAZOLE DERIVATIVES AS THAT MODULATE THE ACTIVITY OF CDK, GSK AND AURORA KINASES Astex Therapeutics Limited (GB) 2007-09-26 EP disclosed
WO-2006070198-A1 PYRAZOLE DERIVATIVES AS THAT MODULATE THE ACTIVITY OF CDK, GSK AND AURORA KINASES ASTEX THERAPEUTICS LIMITED (GB) 2006-07-06 WO 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-20100160324-A1 PYRAZOLE DERIVATIVES AS THAT MODULATE THE ACTIVITY OF CDK, GSK AND AURORA KINASES CDK1, CDK3, CDK13 ALDH1A1 3914/4885MEN1 1244/4885MAPT 447/4885

“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.