SCHEMBL3046498

SCHEMBL3046498

CC(C)(C)OC(=O)n1c(-c2ccc(Cl)c3c2C(=O)NC3)cc2cc(CN3CCSCC3)ccc21

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 14/20 0.35
BRD4 O60885 1/20 0.35
CREBBP Q92793 1/20 0.35
NR1H3 Q13133 3/20 0.34
ATR Q13535 2/20 0.34
ATRIP Q8WXE1 2/20 0.34
TBK1 Q9UHD2 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
SCHEMBL3047029 0.93 NR1H2 (0.37) NR1H2BRD4CREBBPNR1H3ATR
SCHEMBL3047413 0.92 NR1H2 (0.36) NR1H2BRD4CREBBPNR1H3ATR
SCHEMBL3047734 0.92 VEGFA (0.40) NR1H2TBK1
SCHEMBL3050056 0.91 ATR (0.41) NR1H2BRD4CREBBPNR1H3ATR
SCHEMBL3054418 0.90 NR1H2 (0.37) NR1H2BRD4CREBBPNR1H3ATR
SCHEMBL3044252 0.90 BRD4 (0.36) NR1H2BRD4CREBBPNR1H3ATR
SCHEMBL3037652 0.90 BRD4 (0.38) NR1H2BRD4CREBBPNR1H3ATR
SCHEMBL3038085 0.90 KDM4E (0.37) NR1H2BRD4CREBBPNR1H3ATR
SCHEMBL3034090 0.90 LTA4H (0.36) NR1H2BRD4CREBBPNR1H3ATR
SCHEMBL3050168 0.89 ATR (0.35) NR1H2BRD4CREBBPNR1H3ATR

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 21/4885BRD4 47/4885CREBBP 904/4885

“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.