SCHEMBL2861544

SCHEMBL2861544

COc1ccc(Cn2c(=O)c3c(N)n(-c4cccc(OC)c4)nc3c3ccc([N+](=O)[O-])cc32)cc1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.45
LMNA P02545 1/20 0.45
PIK3R1 P27986 2/20 0.43
PIK3CA P42336 2/20 0.43
MAPT P10636 3/20 0.43
ALDH1A1 P00352 2/20 0.43
DCTPP1 Q9H773 1/20 0.41
SRC P12931 1/20 0.41
THRB P10828 1/20 0.40
HPGD P15428 1/20 0.40

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
SCHEMBL2860059 0.94 PIK3R1 (0.44) HTTLMNAPIK3R1PIK3CAMAPT
SCHEMBL2870442 0.90 KMT2A (0.45) PIK3R1PIK3CAMAPTDCTPP1
SCHEMBL2857969 0.88 PIK3R1 (0.42) HTTPIK3R1PIK3CAMAPTALDH1A1
SCHEMBL2861360 0.86 P2RX4 (0.50) LMNAMAPTALDH1A1THRB
SCHEMBL2866936 0.80 KMT2A (0.52) HTTMAPTALDH1A1HPGD
SCHEMBL2860000 0.79 MAPT (0.49) LMNAPIK3R1PIK3CAMAPTALDH1A1
SCHEMBL2871092 0.78 P2RX4 (0.54) LMNAMAPTALDH1A1HPGD
SCHEMBL2864984 0.77 RECQL (0.51) ALDH1A1
SCHEMBL2865419 0.77 HDAC1 (0.46) MAPTALDH1A1HPGD
SCHEMBL2862341 0.77 PDE1B (0.40) LMNAMAPTALDH1A1

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 HTT 3876/4885LMNA 4123/4885PIK3R1 616/4885

“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.