SCHEMBL3047240

SCHEMBL3047240

CC(C)(C)OC(=O)n1c(-c2ccc(Cl)c3c2C(=O)NC3)c(I)c2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNB2 O95067 1/20 0.40
CDK1 P06493 1/20 0.40
CCNB1 P14635 1/20 0.40
GSK3B P49841 1/20 0.40
CCNB3 Q8WWL7 1/20 0.40
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
GLP1R P43220 1/20 0.36
CLK1 P49759 1/20 0.35
CLK2 P49760 1/20 0.35
CLK3 P49761 1/20 0.35
PRKCG P05129 2/20 0.34
PRKCB P05771 2/20 0.34
PRKCA P17252 2/20 0.34
PRKCH P24723 2/20 0.34
PRKCE Q02156 2/20 0.34
PRKCD Q05655 2/20 0.34
PRKD3 O94806 1/20 0.34

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
SCHEMBL5133629 0.87 CCNB2 (0.40) CCNB2CDK1CCNB1GSK3BCCNB3
SCHEMBL3048043 0.82 CCNB2 (0.35) CCNB2CDK1CCNB1GSK3BCCNB3
SCHEMBL3034386 0.79 BRD4 (0.51) CREBBPBRD4
SCHEMBL3038178 0.79 GSK3B (0.41) CCNB2CDK1CCNB1GSK3BCCNB3
SCHEMBL3044227 0.71 BRD4 (0.39) CREBBPBRD4
SCHEMBL8791684 0.71 TP53 (0.60) CCNB2CDK1CCNB1GSK3BCCNB3
SCHEMBL3043890 0.70 BRD4 (0.38) CREBBPBRD4
SCHEMBL3046659 0.70 NR1H2 (0.44) CREBBPBRD4
SCHEMBL5334758 0.70 KDR (0.43) CCNB2CDK1CCNB1GSK3BCCNB3
SCHEMBL3047590 0.70 NR1H2 (0.45) CREBBPBRD4

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 CCNB2 1585/4885CDK1 922/4885CCNB1 1554/4885

“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.