SCHEMBL3510396

SCHEMBL3510396

CC(C)(C)OC(=O)n1c(-c2cc(Br)ccc2F)nc2ccccc21

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCNB2 O95067 1/20 0.44
CDK1 P06493 1/20 0.44
CCNB1 P14635 1/20 0.44
GSK3B P49841 1/20 0.44
CCNB3 Q8WWL7 1/20 0.44
SLC22A12 Q96S37 1/20 0.43
TBXA2R P21731 1/20 0.41
TRPV3 Q8NET8 1/20 0.41
NR1H2 P55055 2/20 0.40
MEN1 O00255 1/20 0.39
MAPK1 P28482 1/20 0.39
KMT2A Q03164 1/20 0.39
BACE1 P56817 1/20 0.38

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
SCHEMBL1284447 0.88 CCNB2 (0.39) CCNB2CDK1CCNB1GSK3BCCNB3
SCHEMBL1283797 0.87 PIK3CA (0.41) CCNB2CDK1CCNB1GSK3BCCNB3
SCHEMBL1284738 0.87 PDE2A (0.45) CCNB2CDK1CCNB1GSK3BCCNB3
SCHEMBL1284052 0.85 CRBN (0.39) CCNB2CDK1CCNB1GSK3BCCNB3
SCHEMBL1207363 0.82 CNR2 (0.50) CCNB2CDK1CCNB1GSK3BCCNB3
SCHEMBL3512952 0.81 PDK2 (0.49) MEN1KMT2A
SCHEMBL16328101 0.81 MAPKAPK2 (0.40) NR1H2MEN1KMT2A
SCHEMBL1284922 0.78 TBXA2R (0.40) CCNB2CDK1CCNB1GSK3BCCNB3
SCHEMBL133915 0.76 CNR2 (0.51) NR1H2MAPK1KMT2A
SCHEMBL25168045 0.76 L3MBTL1 (0.46) NR1H2MEN1MAPK1KMT2A

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-8592463-B2 Hedgehog pathway antagonists and therapeutic applications thereof SIENA BIOTECH S.P.A. (IT) 2013-11-26 US disclosed
US-20100286114-A1 HEDGEHOG PATHWAY ANTAGONISTS AND THERAPEUTIC APPLICATIONS THEREOF SIENA BIOTECH S.P.A. (IT) 2010-11-11 US disclosed
US-20100286114-A1 HEDGEHOG PATHWAY ANTAGONISTS AND THERAPEUTIC APPLICATIONS THEREOF SIENA BIOTECH S.P.A. (IT) 2010-11-11 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-20100286114-A1 HEDGEHOG PATHWAY ANTAGONISTS AND THERAPEUTIC APPLICATIONS THEREOF SHH, GLI1, SMO CCNB2 3304/4885CDK1 1756/4885CCNB1 3696/4885

“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.