SCHEMBL2861356

SCHEMBL2861356

COc1ccc(Cn2c(=O)c3c(NC(C)=O)n(-c4ccc(CCO)cc4)nc3c3ccccc32)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX4 Q99571 1/20 0.47
HDAC1 Q13547 2/20 0.45
HDAC11 Q96DB2 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
TP53 P04637 5/20 0.45
MAPT P10636 3/20 0.43
POLB P06746 1/20 0.43
ADORA3 P0DMS8 4/20 0.43
ABCB1 P08183 1/20 0.42
RXFP1 Q9HBX9 1/20 0.41
ALDH1A1 P00352 4/20 0.41
KDM4E B2RXH2 2/20 0.41
ADORA1 P30542 2/20 0.41
ADORA2A P29274 1/20 0.41
USP2 O75604 1/20 0.40
HPGD P15428 1/20 0.40
KMT2A Q03164 1/20 0.40
HSD17B10 Q99714 1/20 0.40
THRB P10828 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
SCHEMBL2862781 0.90 P2RX4 (0.42) P2RX4HDAC1HDAC11HDAC8HDAC6
SCHEMBL2868514 0.89 SMPD1 (0.44) P2RX4HDAC1HDAC11HDAC8HDAC6
SCHEMBL2867302 0.85 P2RX4 (0.48) P2RX4HDAC1HDAC11HDAC8HDAC6
SCHEMBL2871092 0.79 P2RX4 (0.54) P2RX4HDAC1TP53MAPTPOLB
SCHEMBL2868482 0.76 P2RX4 (0.50) P2RX4HDAC1TP53MAPTPOLB
SCHEMBL2868659 0.73 P2RX4 (0.47) P2RX4HDAC1TP53MAPTPOLB
SCHEMBL2865419 0.73 HDAC1 (0.46) P2RX4HDAC1HDAC11HDAC8HDAC6
SCHEMBL2859032 0.72 P2RX4 (0.46) P2RX4HDAC1TP53MAPTPOLB
SCHEMBL2861360 0.72 P2RX4 (0.50) P2RX4HDAC1TP53MAPTPOLB
SCHEMBL13025176 0.71 P2RX4 (0.44) P2RX4HDAC1TP53MAPTPOLB

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 718/4885HDAC1 1182/4885HDAC11 1276/4885

“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.