SCHEMBL2864984

SCHEMBL2864984

COc1ccc(Cn2c(=O)c3c(N)n(-c4cccc(C(F)(F)F)c4)nc3c3ccccc32)cc1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.51
NPBWR1 P48145 2/20 0.46
MCHR1 Q99705 1/20 0.46
P2RX4 Q99571 1/20 0.44
CTSK P43235 1/20 0.43
TP53 P04637 3/20 0.43
POLB P06746 2/20 0.43
PPARG P37231 4/20 0.42
CNR2 P34972 1/20 0.42
ALDH1A1 P00352 1/20 0.40
P2RX3 P56373 1/20 0.40
BLM P54132 1/20 0.40
SMN1; SMN2 Q16637 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
SCHEMBL2861360 0.90 P2RX4 (0.50) RECQLP2RX4TP53POLBALDH1A1
SCHEMBL2860000 0.89 MAPT (0.49) RECQLP2RX4TP53POLBALDH1A1
SCHEMBL2871092 0.86 P2RX4 (0.54) RECQLP2RX4TP53POLBALDH1A1
SCHEMBL2865419 0.85 HDAC1 (0.46) NPBWR1MCHR1P2RX4TP53POLB
SCHEMBL2870442 0.84 KMT2A (0.45) P2RX4TP53SMN1; SMN2
SCHEMBL2868482 0.83 P2RX4 (0.50) RECQLP2RX4TP53POLBALDH1A1
SCHEMBL2866936 0.82 KMT2A (0.52) P2RX4TP53POLBALDH1A1SMN1; SMN2
SCHEMBL2867302 0.81 P2RX4 (0.48) RECQLP2RX4TP53POLBALDH1A1
SCHEMBL2860751 0.81 P2RX4 (0.44) RECQLP2RX4TP53POLBALDH1A1
SCHEMBL2868659 0.80 P2RX4 (0.47) P2RX4TP53POLBALDH1A1BLM

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 RECQL 610/4885NPBWR1 2305/4885MCHR1 1870/4885

“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.