SCHEMBL2865208

SCHEMBL2865208

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

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.43
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 2/20 0.43
PKM P14618 1/20 0.39
CHEK1 O14757 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MAPT P10636 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
ADORA3 P0DMS8 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
POLB P06746 1/20 0.35
PARP1 P09874 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
SCHEMBL2864837 0.94 DDB1 (0.41) GAAALDH1A1KDM4EPKMCHEK1
SCHEMBL13025371 0.90 KDM4E (0.40) ALDH1A1KDM4ECHEK1SMN1; SMN2MEN1
SCHEMBL2862269 0.89 KDM4E (0.40) GAAALDH1A1KDM4ECHEK1MEN1
SCHEMBL2867321 0.89 KDM4E (0.39) ALDH1A1KDM4ECHEK1SMN1; SMN2MEN1
SCHEMBL2865413 0.89 CTSS (0.37) ALDH1A1KDM4EMEN1KMT2AHPGD
SCHEMBL2870391 0.84 DDB1 (0.39) GAACHEK1SMN1; SMN2MEN1KMT2A
SCHEMBL13025378 0.84 DDB1 (0.39) ALDH1A1KDM4ECHEK1SMN1; SMN2MEN1
SCHEMBL2871427 0.84 CHEK1 (0.39) ALDH1A1KDM4ECHEK1HPGDMAPT
SCHEMBL2865572 0.84 ADORA3 (0.43) GAAALDH1A1KDM4ESMN1; SMN2MEN1
SCHEMBL2871151 0.84 ADORA3 (0.38) ALDH1A1KDM4ECHEK1L3MBTL1ADORA3

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 GAA 4868/4885ALDH1A1 2391/4885KDM4E 1057/4885

“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.