SCHEMBL2861317

SCHEMBL2861317

COc1ccc(Cn2c(=O)c3c(N)n(-c4cc(C)ccc4C)nc3c3ccccc32)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX4 Q99571 1/20 0.47
ALDH1A1 P00352 3/20 0.46
LMNA P02545 1/20 0.46
POLB P06746 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
TP53 P04637 1/20 0.46
CHRM1 P11229 1/20 0.44
BLM P54132 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPBWR1 P48145 1/20 0.42
MCHR1 Q99705 1/20 0.42
MEN1 O00255 1/20 0.41
GAA P10253 1/20 0.41
RECQL P46063 1/20 0.41
KMT2A Q03164 1/20 0.41
GABRA5 P31644 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL2861651 0.95 P2RX4 (0.48) P2RX4ALDH1A1LMNAPOLBTDP1
SCHEMBL2861755 0.85 P2RX4 (0.48) P2RX4ALDH1A1LMNAPOLBTDP1
SCHEMBL2868708 0.85 P2RX4 (0.48) P2RX4ALDH1A1LMNAPOLBTDP1
SCHEMBL2866812 0.85 P2RX4 (0.44) P2RX4ALDH1A1LMNAPOLBTDP1
SCHEMBL2857612 0.85 P2RX4 (0.50) P2RX4ALDH1A1LMNAPOLBTDP1
SCHEMBL2871092 0.85 P2RX4 (0.54) P2RX4ALDH1A1LMNAPOLBTDP1
SCHEMBL2862282 0.85 P2RX4 (0.42) P2RX4ALDH1A1LMNAPOLBTDP1
SCHEMBL2871293 0.84 P2RX4 (0.47) P2RX4ALDH1A1LMNAPOLBTDP1
SCHEMBL2855985 0.84 P2RX4 (0.43) P2RX4ALDH1A1LMNAPOLBTDP1
SCHEMBL2861360 0.83 P2RX4 (0.50) P2RX4ALDH1A1LMNAPOLBTDP1

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 718/4885ALDH1A1 2391/4885LMNA 4123/4885

“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.