SCHEMBL5457572

SCHEMBL5457572

Cc1cc(-c2c(-c3ccc(F)cc3)nn3c(N)cccc23)nc(NC2CCCC2)n1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.43
KDM4E B2RXH2 4/20 0.42
ATM Q13315 3/20 0.42
USP2 O75604 1/20 0.41
MAPK14 Q16539 5/20 0.40
ALOX5 P09917 1/20 0.39
RAB9A P51151 1/20 0.39
GSK3B P49841 2/20 0.36
CSNK1D P48730 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 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
SCHEMBL5457242 0.91 PTGS2 (0.45) PTGS2KDM4EATMUSP2MAPK14
SCHEMBL5451195 0.89 PTGS2 (0.42) PTGS2KDM4EATMUSP2MAPK14
SCHEMBL5455164 0.89 MAPK14 (0.48) PTGS2KDM4EATMUSP2MAPK14
SCHEMBL5452916 0.85 CSNK1D (0.51) MAPK14GSK3BCSNK1D
SCHEMBL5454651 0.85 EGFR (0.42) PTGS2KDM4EATMUSP2MAPK14
SCHEMBL5457420 0.83 VCP (0.41) PTGS2KDM4EATMUSP2MAPK14
SCHEMBL6182551 0.82 PTGS2 (0.40) PTGS2KDM4EATMUSP2MAPK14
SCHEMBL14339929 0.81 PTGS2 (0.39) PTGS2KDM4EATMUSP2MAPK14
SCHEMBL5453329 0.80 KDM4E (0.47) PTGS2KDM4EATMMAPK14ALOX5
SCHEMBL5457421 0.79 RAB9A (0.42) PTGS2KDM4EATMMAPK14ALOX5

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 PTGS2 802/4885KDM4E 1789/4885ATM 3169/4885

“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.