SCHEMBL2867992

SCHEMBL2867992

COc1ccc(Cl)c(-n2cc3c(=O)[nH]c4cc(N)ccc4c3n2)c1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 9/20 0.51
ADORA1 P30542 2/20 0.42
PARP1 P09874 1/20 0.40
ALDH1A1 P00352 4/20 0.38
HPGD P15428 2/20 0.38
LMNA P02545 1/20 0.38
PDE2A O00408 4/20 0.37
NPC1 O15118 2/20 0.36
KDM4E B2RXH2 2/20 0.35
TP53 P04637 1/20 0.35
GAA P10253 1/20 0.35
HTT P42858 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
SCHEMBL2868414 0.88 ADORA3 (0.51) ADORA3ADORA1ALDH1A1HPGDLMNA
SCHEMBL2864647 0.81 PDE2A (0.44) ADORA3PARP1ALDH1A1HPGDLMNA
SCHEMBL2870092 0.78 KDM4E (0.53) ADORA3PARP1ALDH1A1NPC1KDM4E
SCHEMBL2864783 0.77 KDM4E (0.53) ADORA3ALDH1A1HPGDPDE2ANPC1
SCHEMBL2865098 0.76 KDM4E (0.49) ALDH1A1HPGDLMNANPC1KDM4E
SCHEMBL2866719 0.71 PDE2A (0.43) ALDH1A1HPGDLMNAPDE2AKDM4E
SCHEMBL2870546 0.69 PDE2A (0.47) ADORA3ADORA1ALDH1A1HPGDPDE2A
SCHEMBL2861961 0.69 CTSV (0.42) PARP1ALDH1A1HPGDLMNAPDE2A
SCHEMBL2857864 0.68 ADORA3 (0.83) ADORA3ADORA1LMNATP53
SCHEMBL2862251 0.68 PDE2A (0.42) ADORA3ADORA1PDE2AKDM4E

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 ADORA3 1829/4885ADORA1 2477/4885PARP1 2258/4885

“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.