SCHEMBL2870546

SCHEMBL2870546

COc1ccc(Cl)c(-n2nc3c(c2N)c(=O)[nH]c2ccccc23)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 5/20 0.47
ADORA3 P0DMS8 4/20 0.46
ADORA1 P30542 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.42
CYP1A2 P05177 1/20 0.42
PPARG P37231 1/20 0.42
HTT P42858 1/20 0.42
NCOA2 Q15596 1/20 0.42
NCOA1 Q15788 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
NCOA3 Q9Y6Q9 1/20 0.42
ABCG2 Q9UNQ0 1/20 0.41
HSD17B10 Q99714 2/20 0.40
PKM P14618 1/20 0.40
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
GABRP O00591 1/20 0.39
GABRD O14764 1/20 0.39
GABRA1 P14867 1/20 0.39

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
SCHEMBL2864647 0.89 PDE2A (0.44) PDE2AADORA3HTTNPSR1KDM4E
SCHEMBL2868559 0.89 ADORA3 (0.47) ADORA3ADORA1SMN1; SMN2CYP1A2PPARG
SCHEMBL2865205 0.89 ADORA3 (0.47) ADORA3ADORA1SMN1; SMN2CYP1A2PPARG
SCHEMBL2864291 0.88 PDE2A (0.42) PDE2AADORA3ADORA1NPSR1KDM4E
SCHEMBL2858990 0.88 PDE2A (0.45) PDE2AADORA3ADORA1SMN1; SMN2CYP1A2
SCHEMBL2866719 0.87 PDE2A (0.43) PDE2AHTTNPSR1HSD17B10KDM4E
SCHEMBL2871518 0.86 PDE2A (0.47) PDE2AADORA3HTTKDM4E
SCHEMBL2859234 0.86 ALOX12 (0.52) ADORA3ADORA1SMN1; SMN2CYP1A2HTT
SCHEMBL2860183 0.84 FGFR1 (0.46) PDE2AADORA3HTTKDM4EMEN1
SCHEMBL2861961 0.84 CTSV (0.42) PDE2ASMN1; SMN2HTTKDM4EALDH1A1

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 PDE2A 2228/4885ADORA3 1829/4885ADORA1 2477/4885

“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.