SCHEMBL3039595

SCHEMBL3039595

Cc1cc2c(c(-c3cc4cc(CN5CCCCC5)ccc4n3C(=O)OC(C)(C)C)n1)C(=O)NC2

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 12/20 0.36
PARP1 P09874 1/20 0.36
NR1H3 Q13133 3/20 0.35
TBK1 Q9UHD2 5/20 0.35
ATR Q13535 1/20 0.34
ATRIP Q8WXE1 1/20 0.34
IDO1 P14902 1/20 0.33
TDO2 P48775 1/20 0.33
IDO2 Q6ZQW0 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
SCHEMBL3044658 0.90 ATR (0.38) NR1H2PARP1NR1H3TBK1ATR
SCHEMBL3147222 0.88 ATR (0.34) NR1H2NR1H3TBK1ATRATRIP
SCHEMBL3835025 0.86 PARP1 (0.40) NR1H2PARP1NR1H3
SCHEMBL3835632 0.86 PARP1 (0.40) NR1H2PARP1NR1H3
SCHEMBL3147217 0.85 NR1H2 (0.32) NR1H2NR1H3TBK1ATRATRIP
SCHEMBL3835267 0.85 NR1H2 (0.37) NR1H2PARP1NR1H3
SCHEMBL3842078 0.85 NR1H2 (0.36) NR1H2PARP1NR1H3
SCHEMBL3839452 0.84 PARP1 (0.38) NR1H2PARP1NR1H3
SCHEMBL3841029 0.84 NR1H2 (0.38) NR1H2PARP1NR1H3TBK1ATR
SCHEMBL3837647 0.84 NR1H2 (0.36) NR1H2PARP1NR1H3ATRATRIP

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 21/4885PARP1 2892/4885NR1H3 25/4885

“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.