SCHEMBL304524

SCHEMBL304524

CCS(=O)(=O)CCN1CCc2c(cccc2Nc2ccc(C)c(-c3ccc(C)cn3)c2)C1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD9 Q9H8M2 3/20 0.37
BRD4 O60885 2/20 0.37
CARM1 Q86X55 2/20 0.36
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
GAA P10253 1/20 0.35
KAT2B Q92831 1/20 0.35
P2RY1 P47900 1/20 0.33
USP2 O75604 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
BRAF P15056 1/20 0.32
BTK Q06187 1/20 0.32
JAK2 O60674 2/20 0.32
JAK3 P52333 2/20 0.32
PTK2 Q05397 2/20 0.32
WEE1 P30291 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
HTR7 P34969 1/20 0.31
ABL1 P00519 1/20 0.31
KIT P10721 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
SCHEMBL303994 0.93 JAK2 (0.37) BRD9BRD4CARM1MEN1KMT2A
SCHEMBL305275 0.92 BRD9 (0.36) BRD9BRD4CARM1KAT2BP2RY1
SCHEMBL2030886 0.86 MAPT (0.37) BRD9BRD4CARM1KAT2BP2RY1
SCHEMBL2032269 0.85 CARM1 (0.35) BRD9BRD4CARM1KAT2BP2RY1
SCHEMBL306092 0.85 P2RY1 (0.37) BRD9BRD4CARM1MEN1KMT2A
SCHEMBL1921911 0.85 JAK2 (0.37) BRD9BRD4CARM1KAT2BP2RY1
SCHEMBL1922133 0.85 BRD9 (0.36) BRD9BRD4CARM1KAT2BJAK2
SCHEMBL305146 0.84 P2RY1 (0.39) BRD9BRD4CARM1MEN1KMT2A
SCHEMBL1922408 0.83 JAK3 (0.38) BRD9BRD4KAT2BBTKJAK2
SCHEMBL304368 0.83 JAK2 (0.42) BRD9CARM1P2RY1BRAFJAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2328871-B1 HEDGEHOG PATHWAY MODULATORS NOVARTIS AG (CH) 2020-04-01 EP claimed
CN-102203067-B Hedgehog pathway modulators IRM LLC 2014-01-15 CN claimed
US-8507491-B2 Compounds and compositions as hedgehog pathway inhibitors IRM LLC (BM) 2013-08-13 US claimed
JP-2012500853-A 2012-01-12 JP claimed
US-20110152282-A1 HEDGEHOG PATHWAY MODULATORS IRM LLC (BM) 2011-06-23 US claimed
EP-2328871-A2 HEDGEHOG PATHWAY MODULATORS IRM LLC (BM) 2011-06-08 EP claimed
WO-2010027746-A2 HEDGEHOG PATHWAY MODULATORS IRM LLC (BM) 2010-03-11 WO claimed
EP-2328871-B1 HEDGEHOG PATHWAY MODULATORS NOVARTIS AG (CH) 2020-04-01 EP disclosed
US-9216964-B2 Hedgehog pathway modulators NOVARTIS AG (CH) 2015-12-22 US disclosed
US-9216964-B2 Hedgehog pathway modulators NOVARTIS AG (CH) 2015-12-22 US disclosed
CN-102203067-B Hedgehog pathway modulators IRM LLC 2014-01-15 CN disclosed
US-20130296333-A1 HEDGEHOG PATHWAY MODULATORS IRM LLC (BM) 2013-11-07 US disclosed
US-20130296333-A1 HEDGEHOG PATHWAY MODULATORS IRM LLC (BM) 2013-11-07 US disclosed
US-8507491-B2 Compounds and compositions as hedgehog pathway inhibitors IRM LLC (BM) 2013-08-13 US disclosed
US-8507491-B2 Compounds and compositions as hedgehog pathway inhibitors IRM LLC (BM) 2013-08-13 US disclosed
US-20110152282-A1 HEDGEHOG PATHWAY MODULATORS IRM LLC (BM) 2011-06-23 US disclosed
US-20110152282-A1 HEDGEHOG PATHWAY MODULATORS IRM LLC (BM) 2011-06-23 US disclosed
EP-2328871-A2 HEDGEHOG PATHWAY MODULATORS IRM LLC (BM) 2011-06-08 EP disclosed
WO-2010027746-A2 HEDGEHOG PATHWAY MODULATORS IRM LLC (BM) 2010-03-11 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 (2 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-20130296333-A1 HEDGEHOG PATHWAY MODULATORS GLI1, SHH, SMO BRD9 576/4885BRD4 520/4885CARM1 473/4885
US-20110152282-A1 HEDGEHOG PATHWAY MODULATORS GLI1, SHH, SMO BRD9 613/4885BRD4 622/4885CARM1 824/4885

“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.