SCHEMBL3039340

SCHEMBL3039340

CC(C)(C)OC(=O)Nc1ccc2c(c1)cc(-c1ccc(Cl)c3c1C(=O)NC3)n2C(=O)OC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.37
CREBBP Q92793 1/20 0.37
KDR P35968 2/20 0.36
NR1H2 P55055 6/20 0.36
RIPK3 Q9Y572 2/20 0.36
GPR119 Q8TDV5 1/20 0.34
ATR Q13535 2/20 0.34
ATRIP Q8WXE1 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
BTK Q06187 1/20 0.34
RORC P51449 2/20 0.33
F13A1 P00488 1/20 0.33
TGM2 P21980 1/20 0.33
TGM1 P22735 1/20 0.33
TGM3 Q08188 1/20 0.33
TEK Q02763 1/20 0.33

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
SCHEMBL3047203 0.88 MEN1 (0.42) BRD4CREBBPKDRNR1H2GPR119
SCHEMBL3047016 0.88 PTPN2 (0.47) GPR119MEN1KMT2A
SCHEMBL3044227 0.85 BRD4 (0.39) BRD4CREBBPNR1H2ATRATRIP
SCHEMBL3051536 0.85 ALDH1A1 (0.45) BRD4CREBBPNR1H2GPR119MEN1
SCHEMBL3034386 0.85 BRD4 (0.51) BRD4CREBBPNR1H2
SCHEMBL3043890 0.84 BRD4 (0.38) BRD4CREBBPNR1H2ATRATRIP
SCHEMBL3047590 0.84 NR1H2 (0.45) BRD4CREBBPNR1H2ATRATRIP
SCHEMBL3052592 0.83 NR1H2 (0.36) BRD4CREBBPNR1H2GPR119
SCHEMBL3046137 0.83 PDCD1 (0.39) BRD4CREBBPNR1H2
SCHEMBL3050173 0.83 NR1H2 (0.37) BRD4CREBBPNR1H2ATRATRIP

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-7745641-B2 Nitrogen-containing heterocyclic compound KYOWA HAKKO KIRIN CO., LTD. (JP) 2010-06-29 US disclosed
US-20090054407-A1 Nitrogen-containing heterocyclic compound KYOWA HAKKO KOGYO CO., LTD. (JP) 2009-02-26 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-20090054407-A1 Nitrogen-containing heterocyclic compound NR4A1, NR5A2, PRMT8 BRD4 47/4885CREBBP 904/4885KDR 3226/4885

“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.