SCHEMBL2860059

SCHEMBL2860059

COc1ccc(Cn2c(=O)c3c(N)n(-c4ccccc4)nc3c3ccc([N+](=O)[O-])cc32)cc1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIK3R1 P27986 2/20 0.44
PIK3CA P42336 2/20 0.44
ALDH1A1 P00352 2/20 0.43
HTT P42858 2/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
TP53 P04637 1/20 0.42
CA12 O43570 1/20 0.42
CA9 Q16790 1/20 0.42
MAPT P10636 1/20 0.41
CFTR P13569 1/20 0.41
SRC P12931 1/20 0.41
LMNA P02545 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
SCHEMBL2861544 0.94 HTT (0.45) PIK3R1PIK3CAALDH1A1HTTMAPT
SCHEMBL2870442 0.89 KMT2A (0.45) PIK3R1PIK3CAKMT2ATP53MAPT
SCHEMBL2857969 0.87 PIK3R1 (0.42) PIK3R1PIK3CAALDH1A1HTTMAPT
SCHEMBL2866936 0.84 KMT2A (0.52) ALDH1A1HTTMEN1KMT2ATP53
SCHEMBL2871092 0.83 P2RX4 (0.54) ALDH1A1MEN1KMT2ATP53MAPT
SCHEMBL2861360 0.81 P2RX4 (0.50) ALDH1A1MEN1KMT2ATP53MAPT
SCHEMBL2867619 0.80 BCL2 (0.40) ALDH1A1MEN1KMT2AMAPTLMNA
SCHEMBL14375248 0.80 CA9 (0.53) ALDH1A1MEN1KMT2ACA12CA9
SCHEMBL2862341 0.80 PDE1B (0.40) ALDH1A1TP53MAPTLMNA
SCHEMBL2868482 0.79 P2RX4 (0.50) ALDH1A1MEN1KMT2ATP53MAPT

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 PIK3R1 616/4885PIK3CA 369/4885ALDH1A1 2391/4885

“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.