SCHEMBL2864837

SCHEMBL2864837

CNC(=O)COc1cccc(-n2nc3c(c2N)c(=O)[nH]c2ccccc23)c1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 3/20 0.41
CRBN Q96SW2 3/20 0.41
ALDH1A1 P00352 4/20 0.40
GAA P10253 3/20 0.40
KDM4E B2RXH2 2/20 0.40
CHEK1 O14757 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
TP53 P04637 1/20 0.37
ATM Q13315 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
PKM P14618 1/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
MAPT P10636 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
POLB P06746 1/20 0.36
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
NPC1 O15118 1/20 0.35

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
SCHEMBL2865208 0.94 GAA (0.43) ALDH1A1GAAKDM4ECHEK1L3MBTL1
SCHEMBL13025378 0.91 DDB1 (0.39) DDB1CRBNALDH1A1KDM4ECHEK1
SCHEMBL2871427 0.91 CHEK1 (0.39) DDB1CRBNALDH1A1KDM4ECHEK1
SCHEMBL2870391 0.91 DDB1 (0.39) DDB1CRBNGAACHEK1L3MBTL1
SCHEMBL2871372 0.86 ADORA3 (0.39) DDB1CRBNKDM4ECHEK1ATM
SCHEMBL2860409 0.86 ADORA3 (0.37) KDM4ECHEK1ATMHSD17B10ADORA3
SCHEMBL2863007 0.84 SCN9A (0.39) ALDH1A1KDM4ECHEK1SMN1; SMN2ADORA3
SCHEMBL13025371 0.84 KDM4E (0.40) ALDH1A1KDM4ECHEK1TP53SMN1; SMN2
SCHEMBL2865235 0.84 ABCG2 (0.43) ALDH1A1KDM4ECHEK1ATMSMN1; SMN2
SCHEMBL2862965 0.84 PDE10A (0.40) KDM4ECHEK1MAPTADORA3NPC1

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 DDB1 4212/4885CRBN 1748/4885ALDH1A1 2391/4885

“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.