SCHEMBL2863880

SCHEMBL2863880

COc1ccc(Cn2c(=O)c(C#N)c(Cl)c3ccccc32)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX4 Q99571 1/20 0.62
PDE9A O76083 1/20 0.52
PDE1C Q14123 1/20 0.52
TDP1 Q9NUW8 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
GABRA5 P31644 1/20 0.50
SMN1; SMN2 Q16637 3/20 0.49
GAA P10253 2/20 0.49
POLB P06746 2/20 0.49
MAPK1 P28482 1/20 0.49
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
ALDH1A1 P00352 4/20 0.47
HDAC1 Q13547 2/20 0.47
BLM P54132 1/20 0.47
HDAC11 Q96DB2 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
MAPT P10636 2/20 0.47
KDM4E B2RXH2 2/20 0.47

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
SCHEMBL2864205 0.86 PDE9A (0.63) P2RX4PDE9APDE1CTDP1L3MBTL1
SCHEMBL14195213 0.84 GABRA5 (0.49) P2RX4PDE1CGABRA5GAAKMT2A
SCHEMBL14195200 0.84 GABRA5 (0.47) P2RX4PDE1CGABRA5GAAKMT2A
SCHEMBL10314603 0.84 P2RX4 (0.67) P2RX4TDP1L3MBTL1GABRA5SMN1; SMN2
SCHEMBL568696 0.84 ALDH1A1 (0.52) P2RX4PDE9APDE1CSMN1; SMN2MAPK1
SCHEMBL2857645 0.83 KDM4E (0.52) P2RX4PDE1CTDP1L3MBTL1GABRA5
SCHEMBL2868419 0.82 PDE1A (0.42) P2RX4PDE1CL3MBTL1POLBKMT2A
SCHEMBL4851291 0.81 MAPT (0.58) P2RX4TDP1L3MBTL1GAAPOLB
SCHEMBL14195218 0.81 GABRA5 (0.47) P2RX4L3MBTL1GABRA5SMN1; SMN2GAA
SCHEMBL2865248 0.80 HTT (0.52) KMT2AMEN1ALDH1A1LMNAHTT

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 3 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-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 P2RX4 718/4885PDE9A 2736/4885PDE1C 3343/4885

“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.