SCHEMBL2857795

SCHEMBL2857795

Nc1c2c(=O)[nH]c3ccccc3c2nn1-c1cc(F)ccc1F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 5/20 0.45
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GLA P06280 1/20 0.39
GAA P10253 1/20 0.39
HTT P42858 1/20 0.39
CHEK1 O14757 1/20 0.39
CCNE2 O96020 1/20 0.39
CDK4 P11802 1/20 0.39
CCND1 P24385 1/20 0.39
CCNE1 P24864 1/20 0.39
CDK2 P24941 1/20 0.39
CAMK2B Q13554 1/20 0.39
CAMK2G Q13555 1/20 0.39
CAMK2D Q13557 1/20 0.39
CAMK2A Q9UQM7 1/20 0.39
TDP2 O95551 1/20 0.38
NPC1 O15118 1/20 0.38
TP53 P04637 1/20 0.38
CYP1A2 P05177 1/20 0.38

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 0.83 ADORA3 (0.57) ADORA3CHEK1TDP2NPC1TP53
SCHEMBL2871518 0.80 PDE2A (0.47) ADORA3KDM4EHTTCHEK1CDK4
SCHEMBL2881305 0.79 KDM4E (0.43) ADORA3KDM4EALDH1A1GAACHEK1
SCHEMBL2863364 0.78 KDM4E (0.44) ADORA3KDM4EALDH1A1CHEK1NPC1
SCHEMBL2861092 0.78 ADORA3 (0.53) ADORA3KDM4ECHEK1TDP2NPC1
SCHEMBL2859059 0.77 ADORA3 (0.45) ADORA3CHEK1CDK4CCND1NPC1
SCHEMBL13066775 0.76 L3MBTL1 (0.41) KDM4EALDH1A1GLANPC1RAB9A
SCHEMBL2872710 0.76 ADORA3 (0.57) ADORA3KDM4EALDH1A1GAACHEK1
SCHEMBL2861307 0.76 ADORA3 (0.43) ADORA3KDM4EALDH1A1GAAHTT
SCHEMBL2857583 0.76 ADORA3 (0.43) ADORA3GAACHEK1TDP2

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 ADORA3 1829/4885KDM4E 1057/4885ALDH1A1 2391/4885

“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.