SCHEMBL5457541

SCHEMBL5457541

NCC(N)c1cccc2c(-c3cc(-c4ccccc4)nc(NC4CCCC4)n3)c(-c3ccc(F)cc3)nn12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.42
MAPK14 Q16539 3/20 0.37
VCP P55072 1/20 0.36
MAPT P10636 2/20 0.36
TP53 P04637 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
ADORA1 P30542 1/20 0.35
AKT1 P31749 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
GLA P06280 1/20 0.35
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35
GSK3B P49841 1/20 0.35
CDC7 O00311 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
SCHEMBL5453329 0.86 KDM4E (0.47) KDM4EMAPK14VCPMAPTTP53
SCHEMBL5455132 0.85 MAPK14 (0.48) KDM4EMAPK14VCPMAPTTP53
SCHEMBL14339923 0.85 KDM4E (0.41) KDM4EMAPK14VCPMAPTTP53
SCHEMBL6490784 0.80 KDM4E (0.48) KDM4EMAPK14VCPADORA1AKT1
SCHEMBL5457552 0.80 KDM4E (0.51) KDM4EMAPK14MAPTTP53RXFP1
Hydrochloric Acid SCHEMBL5454770 0.79 KDM4E (0.50) KDM4EMAPK14MAPTTP53RXFP1
SCHEMBL6107071 0.77 GSK3B (0.46) GSK3BMAPK10
SCHEMBL5457572 0.76 PTGS2 (0.43) KDM4EMAPK14MEN1KMT2APTGS2
SCHEMBL5457242 0.76 PTGS2 (0.45) KDM4EMAPK14MEN1ALDH1A1GAA
SCHEMBL5457257 0.75 MAPK14 (0.40) KDM4EMAPK14MAPTTP53RXFP1

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 3 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
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 KDM4E 1789/4885MAPK14 2533/4885VCP 543/4885

“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.