SCHEMBL1284447

SCHEMBL1284447

Cc1ccc2c(c1)nc(-c1cc(Br)ccc1F)n2C(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CCNB2 O95067 1/20 0.39
CDK1 P06493 1/20 0.39
CCNB1 P14635 1/20 0.39
GSK3B P49841 1/20 0.39
CCNB3 Q8WWL7 1/20 0.39
USP30 Q70CQ3 1/20 0.36
PDE2A O00408 1/20 0.36
ALOX5AP P20292 2/20 0.36
PIK3CD O00329 1/20 0.35
PIK3CA P42336 1/20 0.35
PIK3CB P42338 1/20 0.35
PIK3CG P48736 1/20 0.35
NR1H2 P55055 2/20 0.35
TRPV3 Q8NET8 1/20 0.35
MAPT P10636 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
SCHEMBL1283797 0.91 PIK3CA (0.41) CCNB2CDK1CCNB1GSK3BCCNB3
SCHEMBL1284052 0.89 CRBN (0.39) CCNB2CDK1CCNB1GSK3BCCNB3
SCHEMBL3510396 0.88 CCNB2 (0.44) CCNB2CDK1CCNB1GSK3BCCNB3
SCHEMBL13050477 0.87 ALOX5AP (0.36) ALOX5APNR1H2TRPV3
SCHEMBL1284860 0.87 AGPAT2 (0.46) CCNB2CDK1CCNB1GSK3BCCNB3
SCHEMBL1284922 0.81 TBXA2R (0.40) CCNB2CDK1CCNB1GSK3BCCNB3
SCHEMBL3756850 0.77 CCNB2 (0.41) CCNB2CDK1CCNB1GSK3BCCNB3
SCHEMBL1284355 0.76 PDE2A (0.40) CCNB2CDK1CCNB1GSK3BCCNB3
SCHEMBL13050793 0.76 CRBN (0.39) PDE2A
SCHEMBL1284411 0.76 LGMN (0.46) NR1H2MAPT

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8835648-B2 Hedgehog pathway antagonists and therapeutic applications thereof SIENA BIOTECH S.P.A. (IT) 2014-09-16 US disclosed
US-8835648-B2 Hedgehog pathway antagonists and therapeutic applications thereof SIENA BIOTECH S.P.A. (IT) 2014-09-16 US disclosed
US-8835648-B2 Hedgehog pathway antagonists and therapeutic applications thereof SIENA BIOTECH S.P.A. (IT) 2014-09-16 US disclosed
EP-2440544-B1 HEDGEHOG PATHWAY ANTAGONISTS AND THERAPEUTIC APPLICATIONS THEREOF SIENA BIOTECH SPA (IT) 2013-08-14 EP disclosed
EP-2440544-A1 HEDGEHOG PATHWAY ANTAGONISTS AND THERAPEUTIC APPLICATIONS THEREOF Siena Biotech S.p.A. (IT) 2012-04-18 EP disclosed
US-20120088752-A1 HEDGEHOG PATHWAY ANTAGONISTS AND THERAPEUTIC APPLICATIONS THEREOF SIENA BIOTECH S.P.A. (IT) 2012-04-12 US disclosed
US-20120088752-A1 HEDGEHOG PATHWAY ANTAGONISTS AND THERAPEUTIC APPLICATIONS THEREOF SIENA BIOTECH S.P.A. (IT) 2012-04-12 US disclosed
US-20120088752-A1 HEDGEHOG PATHWAY ANTAGONISTS AND THERAPEUTIC APPLICATIONS THEREOF SIENA BIOTECH S.P.A. (IT) 2012-04-12 US disclosed
WO-2010142426-A1 HEDGEHOG PATHWAY ANTAGONISTS AND THERAPEUTIC APPLICATIONS THEREOF SIENA BIOTECH S.P.A. (IT) 2010-12-16 WO 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-20120088752-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.