SCHEMBL1284922

SCHEMBL1284922

CC(C)(C)OC(=O)n1c(-c2cc(Br)ccc2Cl)nc2cc(F)ccc21

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 6/20 0.40
PIK3CA P42336 1/20 0.40
PIK3CB P42338 1/20 0.40
PIK3CG P48736 1/20 0.40
PDE2A O00408 3/20 0.39
CCNB2 O95067 1/20 0.38
CDK1 P06493 1/20 0.38
CCNB1 P14635 1/20 0.38
GSK3B P49841 1/20 0.38
CCNB3 Q8WWL7 1/20 0.38
AGPAT2 O15120 3/20 0.36
NR1H2 P55055 1/20 0.35

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
SCHEMBL1284860 0.90 AGPAT2 (0.46) PIK3CAPIK3CBPIK3CGPDE2ACCNB2
SCHEMBL1284355 0.87 PDE2A (0.40) PDE2ACCNB2CDK1CCNB1GSK3B
SCHEMBL1284738 0.86 PDE2A (0.45) PDE2ACCNB2CDK1CCNB1GSK3B
SCHEMBL1283797 0.84 PIK3CA (0.41) TBXA2RPIK3CAPIK3CBPIK3CGPDE2A
SCHEMBL1284166 0.82 PDE2A (0.40) PDE2ACCNB2CDK1CCNB1GSK3B
SCHEMBL1284447 0.81 CCNB2 (0.39) PIK3CAPIK3CBPIK3CGPDE2ACCNB2
SCHEMBL1284052 0.79 CRBN (0.39) PDE2ACCNB2CDK1CCNB1GSK3B
SCHEMBL3510396 0.78 CCNB2 (0.44) TBXA2RCCNB2CDK1CCNB1GSK3B
SCHEMBL13049947 0.77 AGPAT2 (0.46) PDE2AAGPAT2NR1H2
SCHEMBL1283577 0.77 LGMN (0.44)

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 5 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
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
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 TBXA2R 1881/4885PIK3CA 732/4885PIK3CB 591/4885

“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.