SCHEMBL2867507

SCHEMBL2867507

Nc1c2c(=O)[nH]c3ccccc3c2nn1-c1ccc(CCN2CCCCC2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.43
TP53 P04637 1/20 0.43
POLB P06746 1/20 0.43
HTR2A P28223 2/20 0.41
HTR2C P28335 2/20 0.41
DRD2 P14416 1/20 0.41
ADORA3 P0DMS8 1/20 0.40
ABCB1 P08183 1/20 0.40
ABCC1 P33527 1/20 0.40
ABCG2 Q9UNQ0 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
MPO P05164 1/20 0.40
KMT2A Q03164 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
PARP1 P09874 2/20 0.39
ALDH1A1 P00352 1/20 0.38
SLC6A3 Q01959 1/20 0.38
L3MBTL3 Q96JM7 3/20 0.37
L3MBTL1 Q9Y468 3/20 0.37

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
SCHEMBL2881792 0.91 FGFR1 (0.46) ADORA3ABCB1ABCC1ABCG2MPO
SCHEMBL2863032 0.90 ABCB1 (0.45) KDM4ETP53ADORA3ABCB1ABCC1
SCHEMBL13066580 0.90 KCNH2 (0.40) HTR2AHTR2CDRD2ADORA3ABCB1
SCHEMBL2871082 0.89 KCNH2 (0.40) HTR2AHTR2CDRD2ADORA3ABCB1
SCHEMBL2861092 0.79 ADORA3 (0.53) KDM4ETP53ADORA3KMT2APARP1
SCHEMBL13067107 0.79 TDP2 (0.44) KDM4ETP53ADORA3KMT2APARP1
SCHEMBL2872710 0.78 ADORA3 (0.57) KDM4EPOLBADORA3LMNAMAPT
SCHEMBL2877778 0.78 TDP2 (0.49) KDM4ETP53POLBADORA3MAPT
SCHEMBL2869193 0.76 TDP2 (0.43) TP53ADORA3
SCHEMBL2858978 0.75 ADORA3 (0.60) KDM4ETP53POLBADORA3LMNA

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 7 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-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
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 KDM4E 1057/4885TP53 2049/4885POLB 4153/4885

“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.