SCHEMBL5459554

SCHEMBL5459554

CC(=O)c1c(-c2ccc(F)cc2)nn2c(NC3CCCC3)cccc12

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.42
CSNK1E P49674 3/20 0.42
FYN P06241 3/20 0.39
MAPK14 Q16539 4/20 0.39
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CSNK1D P48730 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
MAPK10 P53779 1/20 0.35

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
SCHEMBL5212848 0.88 GAA (0.40) ALOX5FYNMAPK14NPC1RAB9A
SCHEMBL6105851 0.88 MAPT (0.42) ALOX5NPC1RAB9ATP53MAPT
SCHEMBL5457485 0.85 TDP1 (0.39) ALOX5CSNK1EFYNMAPK14NPC1
SCHEMBL5457488 0.85 TDP1 (0.39) ALOX5CSNK1EFYNMAPK14NPC1
SCHEMBL6105090 0.84 TP53 (0.47) FYNNPC1RAB9ATP53MAPT
SCHEMBL5212553 0.83 GAA (0.42) CSNK1EFYNCSNK1DGAA
SCHEMBL6104272 0.83 PIM1 (0.40) FYNNPC1RAB9AMAPTALDH1A1
SCHEMBL5451038 0.83 MAPT (0.35) FYNNPC1RAB9ATP53MAPT
SCHEMBL5455918 0.82 CSNK1E (0.41) ALOX5CSNK1EMAPK14RAB9ACSNK1D
SCHEMBL6104555 0.81 ATM (0.40) ALOX5FYNNPC1RAB9ATP53

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070287721-A1 Pyrazolopyridinyl pyridine BOYD F LESLIE 2007-12-13 US disclosed
EP-1341788-B1 PYRAZOLOPYRIDINES GLAXO GROUP LTD (GB) 2005-08-10 EP disclosed
EP-1377573-B1 PYRAZOLOPYRIDINE DERIVATIVES GLAXO GROUP LTD (GB) 2005-07-27 EP disclosed
US-6919352-B2 Pyrazolopyridinyl pyridine and pyrimidine therapeutic compounds SMITHKLINE BEECHAM CORPORATION (US) 2005-07-19 US disclosed
US-20040072853-A1 Therapeutic compounds CHAMBERLAIN STANLEY D (US) 2004-04-15 US 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 (2 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-20070287721-A1 Pyrazolopyridinyl pyridine CYP3A5, CYP2C19, CYP3A4 ALOX5 2299/4885CSNK1E 746/4885FYN 929/4885
US-20040072853-A1 Therapeutic compounds PCSK9, ABCB1, FURIN ALOX5 693/4885CSNK1E 364/4885FYN 1441/4885

“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.