SCHEMBL2870305

SCHEMBL2870305

COc1ccc(Cn2c(=O)c3c(N)n(-c4cc(F)ccc4F)nc3c3ccccc32)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX4 Q99571 1/20 0.46
MAPT P10636 5/20 0.44
PIK3R1 P27986 1/20 0.43
PIK3CA P42336 1/20 0.43
HDAC1 Q13547 1/20 0.42
ALDH1A1 P00352 3/20 0.41
TP53 P04637 3/20 0.41
BLM P54132 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
GABRA5 P31644 1/20 0.41
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39
RECQL P46063 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
TBXA2R P21731 1/20 0.39

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
SCHEMBL2860000 0.87 MAPT (0.49) P2RX4MAPTPIK3R1PIK3CAHDAC1
SCHEMBL2857612 0.86 P2RX4 (0.50) P2RX4HDAC1ALDH1A1BLMSMN1; SMN2
SCHEMBL2871293 0.85 P2RX4 (0.47) P2RX4MAPTHDAC1ALDH1A1TP53
SCHEMBL2861651 0.85 P2RX4 (0.48) P2RX4MAPTHDAC1ALDH1A1TP53
SCHEMBL2861755 0.85 P2RX4 (0.48) P2RX4MAPTHDAC1ALDH1A1TP53
SCHEMBL2868708 0.85 P2RX4 (0.48) P2RX4MAPTHDAC1ALDH1A1TP53
SCHEMBL2871092 0.84 P2RX4 (0.54) P2RX4MAPTHDAC1ALDH1A1TP53
SCHEMBL2861317 0.83 P2RX4 (0.47) P2RX4MAPTHDAC1ALDH1A1TP53
SCHEMBL2861360 0.83 P2RX4 (0.50) P2RX4MAPTHDAC1ALDH1A1TP53
SCHEMBL2868482 0.83 P2RX4 (0.50) P2RX4MAPTHDAC1ALDH1A1TP53

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 P2RX4 718/4885MAPT 4583/4885PIK3R1 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.