SCHEMBL2862311

SCHEMBL2862311

Nc1c2c(=O)[nH]c3ccccc3c2nn1-c1cccc(C(F)(F)F)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.52
MEN1 O00255 3/20 0.52
GAA P10253 2/20 0.52
MAPT P10636 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
POLB P06746 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
HTT P42858 1/20 0.52
ADORA3 P0DMS8 2/20 0.46
TDP2 O95551 1/20 0.44
XDH P47989 1/20 0.43
MAPK1 P28482 1/20 0.43
NPC1 O15118 1/20 0.43
HPGD P15428 1/20 0.43
RAB9A P51151 1/20 0.43
ABL1 P00519 1/20 0.43
LCK P06239 1/20 0.43
FYN P06241 1/20 0.43
LYN P07948 1/20 0.43

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
SCHEMBL2863178 0.85 ADORA3 (0.57) MAPTADORA3TDP2MAPK1NPC1
SCHEMBL2859052 0.85 TDP2 (0.45) ADORA3TDP2ABL1LCKFYN
SCHEMBL2861092 0.84 ADORA3 (0.53) KMT2AMEN1ADORA3TDP2NPC1
SCHEMBL2878474 0.83 TDP2 (0.49) KMT2AMEN1GAAADORA3TDP2
SCHEMBL2864776 0.81 TDP2 (0.45) ADORA3TDP2ABL1LCKFYN
SCHEMBL2862967 0.81 ADORA3 (0.58) KMT2AMEN1MAPTSMN1; SMN2L3MBTL1
SCHEMBL2868721 0.81 ADORA3 (0.45) ADORA3TDP2ABL1LCKFYN
SCHEMBL2865387 0.80 TDP2 (0.46) KMT2AMEN1GAAMAPTSMN1; SMN2
SCHEMBL2870429 0.80 PTGS2 (0.51) KMT2AMEN1MAPTSMN1; SMN2ADORA3
SCHEMBL13067107 0.78 TDP2 (0.44) KMT2AMEN1ADORA3TDP2NPC1

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 KMT2A 1037/4885MEN1 3903/4885GAA 4868/4885

“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.