SCHEMBL305381

SCHEMBL305381

Cc1ccc(Nc2cccc3c2CCN(CC(F)(F)CO)C3)cc1-c1ccc(C#N)cn1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CARM1 Q86X55 3/20 0.35
TEAD1 P28347 2/20 0.34
TEAD4 Q15561 2/20 0.34
TEAD2 Q15562 2/20 0.34
TEAD3 Q99594 1/20 0.34
P2RY1 P47900 6/20 0.34
AR P10275 1/20 0.33
EGFR P00533 1/20 0.32
PRMT5 O14744 4/20 0.31
WDR77 Q9BQA1 4/20 0.31
PDK1 Q15118 1/20 0.31
PDK2 Q15119 1/20 0.31
EGLN2 Q96KS0 1/20 0.30

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
SCHEMBL302471 0.92 TEAD1 (0.35) CARM1TEAD1TEAD4TEAD2TEAD3
SCHEMBL302927 0.90 CARM1 (0.37) CARM1TEAD1TEAD4TEAD2TEAD3
SCHEMBL303997 0.90 CARM1 (0.38) CARM1P2RY1EGFR
SCHEMBL303023 0.89 CARM1 (0.38) CARM1TEAD1TEAD4TEAD2TEAD3
SCHEMBL304857 0.88 P2RY1 (0.35) CARM1TEAD1TEAD4TEAD2TEAD3
SCHEMBL303738 0.82 JAK2 (0.34) CARM1PRMT5WDR77
SCHEMBL304696 0.81 CARM1 (0.37) CARM1TEAD1TEAD4TEAD2TEAD3
SCHEMBL305481 0.81 CARM1 (0.37) CARM1TEAD1TEAD4TEAD2TEAD3
SCHEMBL304286 0.80 P2RY1 (0.38) CARM1P2RY1EGFR
SCHEMBL305291 0.80 FASN (0.37) EGLN2

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 14 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
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-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

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 CARM1 473/4885TEAD1 201/4885TEAD4 116/4885
US-20110152282-A1 HEDGEHOG PATHWAY MODULATORS GLI1, SHH, SMO CARM1 824/4885TEAD1 255/4885TEAD4 146/4885

“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.