SCHEMBL2862965

SCHEMBL2862965

Cc1c(OCC#N)cccc1-n1nc2c(c1N)c(=O)[nH]c1ccccc12

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 2/20 0.40
CHEK1 O14757 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
ADORA3 P0DMS8 3/20 0.36
GRM5 P41594 1/20 0.36
KCNN4 O15554 1/20 0.34
ADRA1B P35368 3/20 0.34
ADRA1D P25100 1/20 0.33
ADRA1A P35348 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL2863007 0.86 SCN9A (0.39) CHEK1ADORA3KCNN4KDM4E
SCHEMBL2871372 0.86 ADORA3 (0.39) CHEK1NPC1RAB9AADORA3KDM4E
SCHEMBL2865235 0.85 ABCG2 (0.43) CHEK1NPC1RAB9AADORA3ADRA1B
SCHEMBL2871427 0.85 CHEK1 (0.39) CHEK1ADORA3KDM4EMAPT
SCHEMBL2860409 0.84 ADORA3 (0.37) CHEK1ADORA3KDM4E
SCHEMBL2864837 0.84 DDB1 (0.41) CHEK1NPC1RAB9AADORA3KDM4E
SCHEMBL13025378 0.84 DDB1 (0.39) CHEK1NPC1ADORA3KCNN4KDM4E
SCHEMBL2862053 0.83 CHEK1 (0.36) CHEK1ADORA3ADRA1BADRA1DADRA1A
SCHEMBL2870391 0.80 DDB1 (0.39) CHEK1MAPT
SCHEMBL2862105 0.79 CHEK1 (0.43) CHEK1ADORA3KDM4EMAPT

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 PDE10A 2208/4885CHEK1 605/4885NPC1 4617/4885

“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.