SCHEMBL5034584

SCHEMBL5034584

COCCc1nc2c(c(C)c(C)n3nnnc23)n1CC(C)(C)NC(=O)NC1CCCCC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.36
GAA P10253 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
EPHX2 P34913 2/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
ALDH1A1 P00352 4/20 0.31
MAPT P10636 3/20 0.31
LMNA P02545 1/20 0.31
CRHBP P24387 1/20 0.31
HTT P42858 1/20 0.31
CRHR2 Q13324 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
KDM4E B2RXH2 1/20 0.31
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31
CASP1 P29466 1/20 0.31
SHMT2 P34897 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL5030401 0.91 EPHX1 (0.38) EPHX1GAATDP1MEN1KMT2A
SCHEMBL5030333 0.89 EPHX1 (0.36) EPHX1EPHX2MEN1KMT2A
SCHEMBL6451965 0.82 EPHX1 (0.38) EPHX1GAATDP1L3MBTL1EPHX2
Water SCHEMBL5030360 0.81 EPHX1 (0.38) EPHX1GAATDP1L3MBTL1EPHX2
SCHEMBL5030423 0.79 ALDH1A1 (0.36) ALDH1A1LMNANPSR1TSHRHSD17B10
SCHEMBL5031326 0.73 TLR7 (0.38) L3MBTL1MEN1KMT2AMAPT
SCHEMBL1490742 0.72 EPHX1 (0.41) EPHX1EPHX2BRD4
SCHEMBL13996160 0.72 EPHX1 (0.40) EPHX1GAATDP1ALDH1A1MAPT
SCHEMBL5030382 0.71 TLR7 (0.40) EPHX1MAPT
SCHEMBL5027812 0.70 EPHX1 (0.45) EPHX1GAAL3MBTL1EPHX2MEN1

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-1513848-A4 METHOD OF TREATING ISCHEMIA REPERFUSION INJURY USING ADENOSINE RECEPTOR ANTAGONISTS BIOGEN IDEC INC (US) 2005-11-09 EP claimed
EP-1513848-A2 METHOD OF TREATING ISCHEMIA REPERFUSION INJURY USING ADENOSINE RECEPTOR ANTAGONISTS Biogen Idec MA Inc. (US) 2005-03-16 EP claimed
WO-2003105666-A2 METHOD OF TREATING ISCHEMIA REPERFUSION INJURY USING ADENOSINE RECEPTOR ANTAGONISTS BIOGEN, INC. (US) 2003-12-24 WO claimed
US-20080312434-A1 PROCESS FOR IMIDAZO [4,5-C] PYRIDIN-4-AMINES COLEY PHARMACEUTICAL GROUP, INC. (US) 2008-12-18 US disclosed
US-20080312434-A1 PROCESS FOR IMIDAZO [4,5-C] PYRIDIN-4-AMINES COLEY PHARMACEUTICAL GROUP, INC. (US) 2008-12-18 US disclosed
US-20080312434-A1 PROCESS FOR IMIDAZO [4,5-C] PYRIDIN-4-AMINES COLEY PHARMACEUTICAL GROUP, INC. (US) 2008-12-18 US disclosed
US-20050032829-A1 Process for imidazo[4,5-c]pyridin-4-amines 3M INNOVATIVE PROPERTIES COMPANY 2005-02-10 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-20080312434-A1 PROCESS FOR IMIDAZO [4,5-C] PYRIDIN-4-AMINES PAICS, HTR4, PNPO EPHX1 2287/4885GAA 3441/4885TDP1 1117/4885
US-20050032829-A1 Process for imidazo[4,5-c]pyridin-4-amines PAICS, HTR4, PNPO EPHX1 2287/4885GAA 3441/4885TDP1 1117/4885

“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.