SCHEMBL2870529

SCHEMBL2870529

Cc1cc(Oc2cccnc2)c(O)cc1-n1nc2c(c1N)c(=O)[nH]c1cc(OCCO)ccc12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.35
PDE2A O00408 1/20 0.35
GCK P35557 1/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TEK Q02763 1/20 0.33
BRD4 O60885 1/20 0.33
DRD2 P14416 1/20 0.32
DRD3 P35462 1/20 0.32
AAK1 Q2M2I8 1/20 0.32
PARP1 P09874 1/20 0.32
PRMT5 O14744 1/20 0.32
WDR77 Q9BQA1 1/20 0.32
DYRK1A Q13627 1/20 0.31
CCNK O75909 1/20 0.31
CCND3 P30281 1/20 0.31
GSK3B P49841 1/20 0.31
CDK7 P50613 1/20 0.31

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
SCHEMBL2871146 0.92 MAOA (0.36) MAOAPDE2APARP1CCNKCCND3
SCHEMBL2872733 0.87 BTK (0.36) BRD4DRD2DRD3PARP1BTK
SCHEMBL2868101 0.85 MAOA (0.35) MAOAPDE2AKDM4EALDH1A1HPGD
SCHEMBL2867439 0.85 MAOA (0.40) MAOAPDE2APARP1DYRK1ACCNK
SCHEMBL2867281 0.83 GAA (0.37) PDE2ABRD4BTKPPARD
SCHEMBL2865482 0.81 KDM4E (0.34) KDM4EALDH1A1HPGDHSD17B10BRD4
SCHEMBL13025396 0.81 SMN1; SMN2 (0.40) KDM4EALDH1A1HSD17B10DYRK1ABTK
SCHEMBL2864429 0.80 MAOA (0.40) MAOAPDE2AKDM4EALDH1A1HPGD
SCHEMBL2867785 0.80 NTRK1 (0.36) KDM4EALDH1A1HPGDHSD17B10BTK
SCHEMBL2857869 0.79 SMN1; SMN2 (0.35) BRD4BTK

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 MAOA 2993/4885PDE2A 2228/4885GCK 479/4885

“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.