SCHEMBL563312

SCHEMBL563312

CCCCCc1cc2c(nc(O)n2CCCNC(=O)OC(C)(C)C)c(N(Cc2ccc(OC)cc2)Cc2ccc(OC)cc2)n1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.43
BRD4 O60885 6/20 0.38
MTNR1A P48039 2/20 0.36
MTNR1B P49286 2/20 0.36
CNR2 P34972 1/20 0.36
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.34
GLA P06280 1/20 0.34
KDM4E B2RXH2 1/20 0.34
NPC1 O15118 1/20 0.34
MAPT P10636 1/20 0.34
RAB9A P51151 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
SCHEMBL562449 0.81 TLR7 (0.40) CNR2MAPT
SCHEMBL562152 0.81 TP53 (0.35) CNR2MAPT
SCHEMBL562921 0.81 KCNH2 (0.41) KMT2AMEN1MAPT
SCHEMBL3339558 0.80 SLC2A1 (0.42) KMT2AMEN1ALDH1A1KDM4E
SCHEMBL562893 0.78 BRD4 (0.40) DYRK1ABRD4KMT2AGLAKDM4E
SCHEMBL563383 0.78 TLR7 (0.45) KMT2AALDH1A1MAPT
SCHEMBL563646 0.76 KDM4E (0.39) DYRK1ABRD4KMT2AMEN1ALDH1A1
SCHEMBL561914 0.75 TLR7 (0.39) KMT2AMEN1ALDH1A1KDM4ERAB9A
SCHEMBL562256 0.75 KCNH2 (0.37) CNR2
SCHEMBL563162 0.72 PTGS2 (0.33) KDM4E

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120035209-A1 Hydroxy Substituted 1H-Imidazopyridines and Methods PFIZER INC. (US) 2012-02-09 US disclosed
US-20100152230-A1 HYDROXY SUBSTITUTED 1H-IMIDAZOPYRIDINES AND METHODS PFIZER INC. 2010-06-17 US disclosed
EP-1924581-A1 HYDROXY SUBSTITUTED 1H-IMIDAZOPYRIDINES AND METHODS Pfizer, Inc. (US) 2008-05-28 EP disclosed
WO-2007028129-A1 HYDROXY SUBSTITUTED 1H-IMIDAZOPYRIDINES AND METHODS PFIZER INC. (US) 2007-03-08 WO 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-20100152230-A1 HYDROXY SUBSTITUTED 1H-IMIDAZOPYRIDINES AND METHODS IL4, IL2, IL4I1 DYRK1A 4409/4885BRD4 193/4885MTNR1A 1306/4885
US-20120035209-A1 Hydroxy Substituted 1H-Imidazopyridines and Methods IL2, IL4, IL4I1 DYRK1A 4469/4885BRD4 224/4885MTNR1A 1390/4885

“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.