SCHEMBL2859868

SCHEMBL2859868

COc1ccc(Cn2c(=O)c3c(N)n(-c4cnccc4C)nc3c3cc(OC)c(OC)cc32)cc1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.40
RXFP1 Q9HBX9 1/20 0.39
PDE1B Q01064 6/20 0.38
PDE1C Q14123 5/20 0.38
PDE1A P54750 4/20 0.38
GABRA5 P31644 2/20 0.38
PDE5A O76074 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GABRA1 P14867 1/20 0.36
PIK3CD O00329 2/20 0.36
AAK1 Q2M2I8 1/20 0.35
MAT2A P31153 1/20 0.35
MAPT P10636 1/20 0.35
THRB P10828 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
SCHEMBL2871608 0.90 KDM4E (0.42) KDM4ERXFP1PDE1BPDE1CPDE1A
SCHEMBL2864991 0.89 NPC1 (0.44) KDM4ERXFP1GABRA5ALDH1A1MAPT
SCHEMBL2866734 0.85 MAPT (0.42) KDM4ERXFP1PDE1BPDE1CPDE1A
SCHEMBL2864254 0.84 PIK3R1 (0.41) KDM4ERXFP1PDE1BPDE1CPDE1A
SCHEMBL2863040 0.84 MAPT (0.43) KDM4ERXFP1PDE1BPDE1CPDE1A
SCHEMBL2871290 0.80 MAPT (0.42) KDM4ERXFP1PDE1BPDE1CPDE1A
SCHEMBL2865409 0.79 KDM4E (0.41) KDM4ERXFP1GABRA5ALDH1A1PIK3CD
SCHEMBL2861651 0.78 P2RX4 (0.48) KDM4ERXFP1GABRA5ALDH1A1MAPT
SCHEMBL2860455 0.77 LMNA (0.40) KDM4ERXFP1PDE1BPDE1CPDE1A
SCHEMBL2857641 0.77 PDE1B (0.38) KDM4ERXFP1PDE1BPDE1CPDE1A

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 5 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-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 KDM4E 1057/4885RXFP1 1309/4885PDE1B 2570/4885

“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.