SCHEMBL2862269

SCHEMBL2862269

NC(=O)COc1ccccc1-n1nc2c(c1N)c(=O)[nH]c1ccccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.40
CHEK1 O14757 1/20 0.39
KCNN4 O15554 1/20 0.38
OPRM1 P35372 1/20 0.38
OPRL1 P41146 1/20 0.38
ADORA3 P0DMS8 4/20 0.37
PARP1 P09874 1/20 0.36
HTT P42858 1/20 0.36
ALDH1A1 P00352 3/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TP53 P04637 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
HSD17B10 Q99714 2/20 0.35
HPGD P15428 1/20 0.35
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
MAPK10 P53779 1/20 0.34

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
SCHEMBL2867321 0.92 KDM4E (0.39) KDM4ECHEK1OPRM1OPRL1ADORA3
SCHEMBL13025371 0.89 KDM4E (0.40) KDM4ECHEK1KCNN4OPRM1OPRL1
SCHEMBL2865208 0.89 GAA (0.43) KDM4ECHEK1ADORA3PARP1ALDH1A1
SCHEMBL2871151 0.86 ADORA3 (0.38) KDM4ECHEK1ADORA3PARP1ALDH1A1
SCHEMBL2865413 0.86 CTSS (0.37) KDM4EALDH1A1TP53MEN1KMT2A
SCHEMBL2871427 0.84 CHEK1 (0.39) KDM4ECHEK1OPRM1OPRL1ADORA3
SCHEMBL2863364 0.84 KDM4E (0.44) KDM4ECHEK1ADORA3PARP1ALDH1A1
SCHEMBL2857762 0.83 SCN9A (0.41) KDM4ECHEK1ADORA3PARP1ALDH1A1
SCHEMBL13025378 0.83 DDB1 (0.39) KDM4ECHEK1KCNN4OPRM1OPRL1
SCHEMBL2864837 0.83 DDB1 (0.41) KDM4ECHEK1ADORA3ALDH1A1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7842701-B2 Pyrazoloquinolone derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-11-30 US disclosed
US-7842701-B2 Pyrazoloquinolone derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-11-30 US disclosed
US-7842701-B2 Pyrazoloquinolone derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-11-30 US disclosed
US-20070281963-A1 Pyrazoloquinolone Derivative And Use Thereof TAKEDA PHARMACEUTICAL COMPANY (JP) 2007-12-06 US disclosed
US-20070281963-A1 Pyrazoloquinolone Derivative And Use Thereof TAKEDA PHARMACEUTICAL COMPANY (JP) 2007-12-06 US disclosed
US-20070281963-A1 Pyrazoloquinolone Derivative And Use Thereof TAKEDA PHARMACEUTICAL COMPANY (JP) 2007-12-06 US disclosed
EP-1719771-A1 PYRAZOLOQUINOLONE DERIVATIVE AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2006-11-08 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-20070281963-A1 Pyrazoloquinolone Derivative And Use Thereof MAP3K20, MAP4K5, MAP4K3 KDM4E 1057/4885CHEK1 605/4885KCNN4 986/4885

“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.