SCHEMBL305146

SCHEMBL305146

Cc1ccc(-c2cc(Nc3cccc4c3CCN(CC(C)(C)C)C4)ccc2C)nc1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
P2RY1 P47900 3/20 0.39
CARM1 Q86X55 2/20 0.38
BRD9 Q9H8M2 3/20 0.34
BRD4 O60885 1/20 0.34
C5AR1 P21730 3/20 0.32
MKNK1 Q9BUB5 1/20 0.32
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
GAA P10253 1/20 0.32
KAT2B Q92831 1/20 0.32
EGFR P00533 1/20 0.31
MAPT P10636 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
SCHEMBL304696 0.93 CARM1 (0.37) P2RY1CARM1BRD9BRD4EGFR
SCHEMBL305481 0.93 CARM1 (0.37) P2RY1CARM1BRD9BRD4C5AR1
SCHEMBL303798 0.93 CARM1 (0.39) P2RY1CARM1BRD9BRD4MEN1
SCHEMBL303997 0.89 CARM1 (0.38) P2RY1CARM1BRD9BRD4MEN1
SCHEMBL306092 0.87 P2RY1 (0.37) P2RY1CARM1BRD9BRD4MEN1
SCHEMBL304286 0.85 P2RY1 (0.38) P2RY1CARM1BRD9BRD4C5AR1
SCHEMBL304374 0.84 CARM1 (0.50) CARM1
SCHEMBL303994 0.84 JAK2 (0.37) CARM1BRD9BRD4MEN1KMT2A
SCHEMBL21819915 0.84 CARM1 (0.50) CARM1
SCHEMBL13463960 0.84 CARM1 (0.36) P2RY1CARM1BRD9BRD4C5AR1

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 23 patents — showing the first 20. 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
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-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
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 P2RY1 4100/4885CARM1 473/4885BRD9 576/4885
US-20110152282-A1 HEDGEHOG PATHWAY MODULATORS GLI1, SHH, SMO P2RY1 4339/4885CARM1 824/4885BRD9 613/4885

“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.