SCHEMBL2871102

SCHEMBL2871102

COc1cc(OCc2ccccc2)c2c(c1)[nH]c(=O)c1c(N)n(-c3ccccc3C)nc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 1/20 0.38
PDE5A O76074 1/20 0.37
KMT2A Q03164 2/20 0.35
CTSL P07711 2/20 0.35
CTSB P07858 1/20 0.35
HTT P42858 1/20 0.35
CTSV O60911 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
BRD4 O60885 1/20 0.35
F2RL3 Q96RI0 1/20 0.34
ATP4A P20648 1/20 0.34
ATP4B P51164 1/20 0.34
CYP2E1 P05181 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C8 P10632 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2B6 P20813 1/20 0.34
CYP2C19 P33261 1/20 0.34
PPARG P37231 1/20 0.34

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
SCHEMBL2863158 0.89 ABCG2 (0.43) PDE5AKMT2AHTTADORA3BRD4
SCHEMBL2863760 0.89 MPO (0.37) PDE5AKMT2AHTTBRD4
SCHEMBL2862702 0.89 SCN9A (0.39) MMP13PDE5AKMT2AHTTADORA3
SCHEMBL2858318 0.88 PDE2A (0.35) MMP13PDE5AKMT2AHTTADORA3
SCHEMBL2865147 0.87 BRD4 (0.36) MMP13PDE5AKMT2AHTTADORA3
SCHEMBL2861602 0.86 FABP3 (0.40) MMP13PDE5ABRD4CYP2E1CYP2C8
SCHEMBL2869345 0.85 BRD4 (0.38) MMP13PDE5AKMT2AHTTADORA3
SCHEMBL2868304 0.85 THRB (0.35) KMT2AHTTBRD4
SCHEMBL2861869 0.84 HIF1A (0.40) KMT2AHTTADORA3ABCG2
SCHEMBL2863014 0.84 PDE3B (0.36) MMP13BRD4

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 MMP13 4407/4885PDE5A 1718/4885KMT2A 1037/4885

“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.