SCHEMBL2870442

SCHEMBL2870442

COc1ccc(Cn2c(=O)c3c(N)n(-c4cccc([N+](=O)[O-])c4)nc3c3ccccc32)cc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.45
PIK3R1 P27986 2/20 0.44
PIK3CA P42336 2/20 0.44
P2RX4 Q99571 1/20 0.44
DCTPP1 Q9H773 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
PDE4A P27815 3/20 0.42
PDE4B Q07343 3/20 0.42
PDE4C Q08493 3/20 0.42
PDE4D Q08499 3/20 0.42
ABHD16A O95870 1/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL2861544 0.90 HTT (0.45) PIK3R1PIK3CADCTPP1MAPT
SCHEMBL2861360 0.90 P2RX4 (0.50) KMT2AP2RX4SMN1; SMN2TP53MAPT
SCHEMBL2860059 0.89 PIK3R1 (0.44) KMT2APIK3R1PIK3CATP53MAPT
SCHEMBL2860000 0.86 MAPT (0.49) KMT2APIK3R1PIK3CAP2RX4SMN1; SMN2
SCHEMBL2871092 0.86 P2RX4 (0.54) KMT2AP2RX4SMN1; SMN2TP53MAPT
SCHEMBL2865419 0.84 HDAC1 (0.46) P2RX4SMN1; SMN2PDE4APDE4BPDE4C
SCHEMBL2864984 0.84 RECQL (0.51) P2RX4SMN1; SMN2TP53
SCHEMBL2868482 0.82 P2RX4 (0.50) KMT2AP2RX4SMN1; SMN2TP53MAPT
SCHEMBL2866936 0.81 KMT2A (0.52) KMT2AP2RX4SMN1; SMN2NPC1RAB9A
SCHEMBL2868659 0.81 P2RX4 (0.47) P2RX4SMN1; SMN2TP53MAPT

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 KMT2A 1037/4885PIK3R1 616/4885PIK3CA 369/4885

“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.