SCHEMBL5457421

SCHEMBL5457421

Cc1cc(-c2c(-c3ccc(F)cc3)nn3c(NC4CCCC4)cccc23)nc(N(C)C)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.42
ALOX5 P09917 1/20 0.41
MAPK14 Q16539 4/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
ATM Q13315 1/20 0.39
NPC1 O15118 2/20 0.39
NR2F2 P24468 1/20 0.39
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
DYRK1A Q13627 1/20 0.34
THRB P10828 1/20 0.34
TGFBR1 P36897 1/20 0.34
PTGS2 P35354 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
ADORA2A P29274 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
SCHEMBL5455358 0.88 MAPK14 (0.42) ALOX5MAPK14DYRK1AGRIA1
SCHEMBL5457242 0.88 PTGS2 (0.45) RAB9AALOX5MAPK14MEN1KMT2A
SCHEMBL5451195 0.83 PTGS2 (0.42) RAB9AALOX5MAPK14MEN1KMT2A
SCHEMBL5455364 0.80 MAPK14 (0.38) RAB9AALOX5MAPK14KDM4E
SCHEMBL5455164 0.79 MAPK14 (0.48) RAB9AALOX5MAPK14ATMKDM4E
SCHEMBL5457572 0.79 PTGS2 (0.43) RAB9AALOX5MAPK14MEN1KMT2A
SCHEMBL5453329 0.79 KDM4E (0.47) RAB9AALOX5MAPK14MEN1KMT2A
SCHEMBL5451192 0.79 MAPK8 (0.40) ALOX5MAPK14
SCHEMBL5457420 0.79 VCP (0.41) RAB9AALOX5MAPK14ATMKDM4E
SCHEMBL6182551 0.78 PTGS2 (0.40) RAB9AALOX5MAPK14ATMKDM4E

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
EP-1377573-B1 PYRAZOLOPYRIDINE DERIVATIVES GLAXO GROUP LTD (GB) 2005-07-27 EP claimed
US-20070287721-A1 Pyrazolopyridinyl pyridine BOYD F LESLIE 2007-12-13 US disclosed
US-20070287721-A1 Pyrazolopyridinyl pyridine BOYD F LESLIE 2007-12-13 US disclosed
US-20070287721-A1 Pyrazolopyridinyl pyridine BOYD F LESLIE 2007-12-13 US disclosed
US-7163940-B2 Pyrazolopyridinyl pyrimidine therapeutic compounds SMITHKLINE BEECHAM CORPORATION (US) 2007-01-16 US disclosed
US-7163940-B2 Pyrazolopyridinyl pyrimidine therapeutic compounds SMITHKLINE BEECHAM CORPORATION (US) 2007-01-16 US disclosed
EP-1377573-B1 PYRAZOLOPYRIDINE DERIVATIVES GLAXO GROUP LTD (GB) 2005-07-27 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-20070287721-A1 Pyrazolopyridinyl pyridine CYP3A5, CYP2C19, CYP3A4 RAB9A 1326/4885ALOX5 2299/4885MAPK14 2533/4885

“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.