SCHEMBL562893

SCHEMBL562893

CCCCCc1cc(NCCCNC(=O)OC(C)(C)C)c(N)c(N(Cc2ccc(OC)cc2)Cc2ccc(OC)cc2)n1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 4/20 0.40
TLR7 Q9NYK1 1/20 0.38
KDM4E B2RXH2 2/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
MAPT P10636 1/20 0.37
CCNC P24863 1/20 0.37
CDK8 P49336 1/20 0.37
DYRK1A Q13627 1/20 0.36
GLA P06280 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL4766984 0.89 TLR7 (0.40) TLR7GLAKMT2A
SCHEMBL563646 0.88 KDM4E (0.39) BRD4KDM4ENPC1RAB9AMAPT
SCHEMBL563139 0.83 HRH2 (0.40) TLR7MAPT
SCHEMBL562970 0.80 SLC2A1 (0.43) BRD4KDM4E
SCHEMBL563312 0.78 DYRK1A (0.43) BRD4KDM4ENPC1RAB9AMAPT
SCHEMBL3340349 0.78 NCF1 (0.47) TLR7KDM4ENPC1RAB9AMAPT
SCHEMBL842362 0.77 GSR (0.42) BRD4NPC1RAB9AKMT2A
SCHEMBL4762917 0.76 ALDH1A1 (0.41) KDM4EKMT2A
SCHEMBL4762924 0.76 ALDH1A1 (0.41) KDM4EKMT2A
SCHEMBL3338086 0.72 PTGS2 (0.38) 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 2 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

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 BRD4 193/4885TLR7 210/4885KDM4E 2230/4885
US-20120035209-A1 Hydroxy Substituted 1H-Imidazopyridines and Methods IL2, IL4, IL4I1 BRD4 224/4885TLR7 231/4885KDM4E 2272/4885

“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.