SCHEMBL3048520

SCHEMBL3048520

CC(C)(C)OC(=O)n1c(-c2ccc(N)c3c2C(=O)NC3)cc2cc(CN3CCCCC3)ccc21

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 12/20 0.38
NR1H3 Q13133 3/20 0.36
BRD4 O60885 1/20 0.34
CREBBP Q92793 1/20 0.34
TBK1 Q9UHD2 2/20 0.33
CHEK1 O14757 1/20 0.33
ATR Q13535 2/20 0.33
ATRIP Q8WXE1 2/20 0.33
PARP1 P09874 1/20 0.33
ADORA2A P29274 1/20 0.32
ADORA1 P30542 1/20 0.32

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
SCHEMBL3049701 0.92 NR1H2 (0.37) NR1H2NR1H3BRD4CREBBPCHEK1
SCHEMBL3039052 0.91 NR1H2 (0.37) NR1H2NR1H3BRD4CREBBPATR
SCHEMBL3043638 0.91 NR1H2 (0.40) NR1H2NR1H3TBK1CHEK1
SCHEMBL3048979 0.91 NR1H2 (0.36) NR1H2NR1H3BRD4CREBBPTBK1
SCHEMBL3047413 0.91 NR1H2 (0.36) NR1H2NR1H3BRD4CREBBPTBK1
SCHEMBL3039181 0.91 NR1H2 (0.36) NR1H2NR1H3BRD4CREBBPTBK1
SCHEMBL3840174 0.90 NR1H2 (0.37) NR1H2NR1H3BRD4CREBBPTBK1
SCHEMBL3045149 0.90 NR1H2 (0.36) NR1H2NR1H3BRD4CREBBPTBK1
SCHEMBL3047269 0.90 MEN1 (0.37) NR1H2NR1H3TBK1CHEK1ATR
SCHEMBL3047029 0.90 NR1H2 (0.37) NR1H2NR1H3BRD4CREBBPTBK1

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 NR1H2 21/4885NR1H3 25/4885BRD4 47/4885

“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.