SCHEMBL20061676

SCHEMBL20061676

CC(=O)CNc1ncc(-c2c(C)noc2C)cc1N

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ATAD2 Q6PL18 1/20 0.44
BRD4 O60885 17/20 0.43
LMNA P02545 2/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
HIF1A Q16665 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CLK4 Q9HAZ1 1/20 0.42
BRD2 P25440 4/20 0.42
CREBBP Q92793 4/20 0.42
TDP1 Q9NUW8 1/20 0.39
HDAC1 Q13547 1/20 0.38

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
SCHEMBL18172285 0.85 BRD4 (0.49) ATAD2BRD4LMNAALDH1A1CYP1A2
SCHEMBL20061675 0.82 ERN1 (0.48) BRD4LMNAALDH1A1CYP1A2CYP3A4
SCHEMBL19726803 0.79 BRD4 (0.51) ATAD2BRD4LMNAALDH1A1CYP1A2
SCHEMBL15836986 0.74 BRD4 (0.54) ATAD2BRD4BRD2CREBBP
SCHEMBL19231225 0.74 BRD4 (0.50) ATAD2BRD4BRD2
SCHEMBL18172284 0.73 CYP1A2 (0.62) BRD4LMNAALDH1A1CYP1A2CYP3A4
SCHEMBL18172283 0.73 CYP1A2 (0.48) BRD4LMNAALDH1A1CYP1A2CYP3A4
SCHEMBL17807840 0.73 BRD4 (0.52) ATAD2BRD4CYP1A2BRD2CREBBP
SCHEMBL20832798 0.73 CYP1A2 (0.49) BRD4LMNAALDH1A1CYP1A2CYP3A4
SCHEMBL16861736 0.71 BRD4 (0.50) ATAD2BRD4BRD2CREBBP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180105519-A1 ISOXAZOLYL SUBSTITUTED IMIDAZOPYRIDINES CELLCENTRIC LTD (GB) 2018-04-19 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 (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-20180105519-A1 ISOXAZOLYL SUBSTITUTED IMIDAZOPYRIDINES EP300, HDAC3, HDAC1 ATAD2 1406/4885BRD4 17/4885LMNA 1239/4885

“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.