SCHEMBL2861396

SCHEMBL2861396

COc1cc(O)c2c(c1)[nH]c(=O)c1c(N)n(-c3ccc(Oc4ccccc4)cc3C)nc12

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BTK Q06187 11/20 0.39
MGLL Q99685 2/20 0.38
ESR2 Q92731 1/20 0.37
GRIN1 Q05586 1/20 0.35
GRIN2B Q13224 1/20 0.35
TDP2 O95551 1/20 0.35
NTRK1 P04629 1/20 0.34
IGF1R P08069 1/20 0.34
FGFR1 P11362 1/20 0.34
NTRK2 Q16620 1/20 0.34
COMT P21964 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
SCHEMBL2860707 0.90 BTK (0.42) BTKMGLLGRIN1GRIN2BNTRK1
SCHEMBL2862539 0.88 TDP2 (0.44) BTKMGLLESR2TDP2NTRK1
SCHEMBL2861869 0.88 HIF1A (0.40) ESR2TDP2
SCHEMBL2871421 0.86 BTK (0.38) BTKMGLLGRIN1GRIN2BNTRK1
SCHEMBL2872669 0.84 ESR2 (0.39) ESR2
SCHEMBL2859221 0.84 CYP1A2 (0.39) BTKGRIN1GRIN2BTDP2
SCHEMBL2858480 0.82 BTK (0.41) BTK
SCHEMBL2864525 0.80 BTK (0.38) BTKMGLL
SCHEMBL2864310 0.78 ALDH1A1 (0.37) MGLLCOMT
SCHEMBL2865010 0.78 MGLL (0.43) BTKMGLLTDP2NTRK1IGF1R

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 BTK 272/4885MGLL 4713/4885ESR2 2090/4885

“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.