SCHEMBL2868482

SCHEMBL2868482

COc1ccc(Cn2c(=O)c3c(N)n(-c4ccc(Cl)cc4)nc3c3ccccc32)cc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
P2RX4 Q99571 1/20 0.50
ABCB1 P08183 1/20 0.48
TP53 P04637 5/20 0.47
MAPT P10636 1/20 0.46
LMNA P02545 3/20 0.45
RXFP1 Q9HBX9 3/20 0.45
ALDH1A1 P00352 3/20 0.44
GABRA5 P31644 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
BLM P54132 1/20 0.44
ACHE P22303 1/20 0.43
POLB P06746 3/20 0.43
GAA P10253 2/20 0.43
MAPK1 P28482 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
HDAC1 Q13547 1/20 0.42
MEN1 O00255 1/20 0.42
RECQL P46063 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL2871092 0.96 P2RX4 (0.54) P2RX4ABCB1TP53MAPTLMNA
SCHEMBL2867302 0.91 P2RX4 (0.48) P2RX4ABCB1TP53MAPTLMNA
SCHEMBL2868659 0.89 P2RX4 (0.47) P2RX4TP53MAPTLMNAALDH1A1
SCHEMBL2861360 0.89 P2RX4 (0.50) P2RX4TP53MAPTLMNARXFP1
SCHEMBL2859032 0.88 P2RX4 (0.46) P2RX4TP53MAPTLMNARXFP1
SCHEMBL2871293 0.87 P2RX4 (0.47) P2RX4TP53MAPTLMNARXFP1
SCHEMBL13025176 0.87 P2RX4 (0.44) P2RX4TP53MAPTLMNARXFP1
SCHEMBL2866936 0.85 KMT2A (0.52) P2RX4TP53MAPTALDH1A1SMN1; SMN2
SCHEMBL2860000 0.85 MAPT (0.49) P2RX4TP53MAPTLMNARXFP1
SCHEMBL2868708 0.85 P2RX4 (0.48) P2RX4TP53MAPTLMNARXFP1

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 718/4885ABCB1 2581/4885TP53 2049/4885

“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.