SCHEMBL3048043

SCHEMBL3048043

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNB2 O95067 1/20 0.35
CDK1 P06493 1/20 0.35
CCNB1 P14635 1/20 0.35
GSK3B P49841 1/20 0.35
CCNB3 Q8WWL7 1/20 0.35
GLP1R P43220 1/20 0.34
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
MAP3K11 Q16584 4/20 0.33
MAP3K9 P80192 3/20 0.33
NTRK1 P04629 3/20 0.33
FYN P06241 2/20 0.33
MAP3K10 Q02779 2/20 0.33
FLT4 P35916 1/20 0.33
KDR P35968 4/20 0.33
LCK P06239 1/20 0.33
JAK3 P52333 3/20 0.32
ROCK1 Q13464 1/20 0.31

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
SCHEMBL3047240 0.82 CCNB2 (0.40) CCNB2CDK1CCNB1GSK3BCCNB3
SCHEMBL3048654 0.81 GSK3B (0.36) CCNB2CDK1CCNB1GSK3BCCNB3
SCHEMBL3034386 0.73 BRD4 (0.51)
SCHEMBL3047003 0.73 MAP3K9 (0.40) MAP3K11MAP3K9NTRK1MAP3K10KDR
SCHEMBL5133629 0.69 CCNB2 (0.40) CCNB2CDK1CCNB1GSK3BCCNB3
SCHEMBL3046659 0.67 NR1H2 (0.44)
SCHEMBL3047590 0.66 NR1H2 (0.45)
SCHEMBL5334758 0.66 KDR (0.43) CCNB2CDK1CCNB1GSK3BCCNB3
SCHEMBL3050351 0.66 NR1H2 (0.38) KDR
SCHEMBL3043928 0.66 NR1H2 (0.38) KDR

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 3 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
EP-1880993-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND KYOWA HAKKO KOGYO CO., LTD. (JP) 2008-01-23 EP 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.