SCHEMBL5457552

SCHEMBL5457552

CN1CCN(c2cccc3c(-c4cc(-c5ccccc5)nc(NC5CCCC5)n4)c(-c4ccc(F)cc4)nn23)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.51
ALDH1A1 P00352 7/20 0.51
MAPT P10636 6/20 0.51
HPGD P15428 6/20 0.51
NPSR1 Q6W5P4 3/20 0.51
POLB P06746 2/20 0.51
L3MBTL1 Q9Y468 4/20 0.41
LMNA P02545 3/20 0.41
GLA P06280 2/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
GAA P10253 1/20 0.41
EGFR P00533 1/20 0.40
MAPK8 P45983 1/20 0.40
MAPK9 P45984 1/20 0.40
HTT P42858 3/20 0.40
TP53 P04637 3/20 0.40
HSD17B10 Q99714 2/20 0.40
USP2 O75604 1/20 0.40
CASP1 P29466 1/20 0.40

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
Hydrochloric Acid SCHEMBL5454770 0.99 KDM4E (0.50) KDM4EALDH1A1MAPTHPGDNPSR1
SCHEMBL5454651 0.91 EGFR (0.42) KDM4EALDH1A1MAPTHPGDNPSR1
SCHEMBL5453329 0.85 KDM4E (0.47) KDM4EALDH1A1MAPTPOLBL3MBTL1
SCHEMBL5455132 0.84 MAPK14 (0.48) KDM4EALDH1A1MAPTPOLBL3MBTL1
SCHEMBL5457494 0.80 CSNK1D (0.51) EGFRMAPK8MAPK9MAPK14MAPK1
SCHEMBL5457541 0.80 KDM4E (0.42) KDM4EALDH1A1MAPTPOLBL3MBTL1
SCHEMBL6490784 0.79 KDM4E (0.48) KDM4EEGFRMAPK8MAPK9MAPK14
SCHEMBL14339923 0.79 KDM4E (0.41) KDM4EALDH1A1MAPTHPGDNPSR1
SCHEMBL5890971 0.77 MAPK8 (0.49) KDM4EALDH1A1MAPTHPGDNPSR1
SCHEMBL5457242 0.77 PTGS2 (0.45) KDM4EALDH1A1KMT2AMEN1GAA

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 KDM4E 1789/4885ALDH1A1 881/4885MAPT 1659/4885

“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.