SCHEMBL2864254

SCHEMBL2864254

COc1ccc(Cn2c(=O)c3c(N)n(-c4cc(C#N)ccc4C)nc3c3cc(OC)c(OC)cc32)cc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIK3R1 P27986 2/20 0.41
PIK3CA P42336 2/20 0.41
KDM4E B2RXH2 3/20 0.38
GRIN1 Q05586 2/20 0.38
GRIN2B Q13224 2/20 0.38
RXFP1 Q9HBX9 1/20 0.37
ALDH1A1 P00352 2/20 0.37
PROKR1 Q8TCW9 1/20 0.36
GLA P06280 1/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
KMT2A Q03164 1/20 0.36
PGR P06401 1/20 0.35
PDE1A P54750 4/20 0.35
PDE1B Q01064 4/20 0.35
PDE1C Q14123 4/20 0.35
MDM4 O15151 1/20 0.34
MDM2 Q00987 1/20 0.34
NPC1 O15118 1/20 0.34

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 0.91 KDM4E (0.42) KDM4ERXFP1ALDH1A1HPGDKMT2A
SCHEMBL2864991 0.87 NPC1 (0.44) KDM4ERXFP1ALDH1A1GAAHPGD
SCHEMBL2866734 0.86 MAPT (0.42) KDM4ERXFP1GAAKMT2APDE1A
SCHEMBL2859868 0.84 KDM4E (0.40) KDM4ERXFP1ALDH1A1PDE1APDE1B
SCHEMBL2863040 0.82 MAPT (0.43) KDM4ERXFP1ALDH1A1GAAKMT2A
SCHEMBL2861651 0.80 P2RX4 (0.48) KDM4ERXFP1ALDH1A1GAAHPGD
SCHEMBL2860455 0.79 LMNA (0.40) KDM4ERXFP1ALDH1A1GAAKMT2A
SCHEMBL2861317 0.78 P2RX4 (0.47) KDM4ERXFP1ALDH1A1GAAKMT2A
SCHEMBL2871290 0.78 MAPT (0.42) KDM4ERXFP1ALDH1A1GAAKMT2A
SCHEMBL2861122 0.78 PDE1A (0.39) RXFP1GAAKMT2APDE1APDE1B

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 PIK3R1 616/4885PIK3CA 369/4885KDM4E 1057/4885

“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.