SCHEMBL303023

SCHEMBL303023

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CARM1 Q86X55 5/20 0.38
TEAD1 P28347 2/20 0.36
TEAD4 Q15561 2/20 0.36
TEAD2 Q15562 2/20 0.36
TEAD3 Q99594 1/20 0.36
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 1/20 0.34
PRMT5 O14744 1/20 0.34
WDR77 Q9BQA1 1/20 0.34
P2RY1 P47900 2/20 0.33
MAPK14 Q16539 1/20 0.33
DRD2 P14416 1/20 0.33
CAMKK2 Q96RR4 1/20 0.32
TUBB4A P04350 1/20 0.32
TUBB P07437 1/20 0.32
TUBA3C P0DPH7 1/20 0.32
TUBA1B P68363 1/20 0.32
TUBA4A P68366 1/20 0.32
TUBB4B P68371 1/20 0.32
TUBB3 Q13509 1/20 0.32

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
SCHEMBL305381 0.89 CARM1 (0.35) CARM1TEAD1TEAD4TEAD2TEAD3
SCHEMBL303997 0.81 CARM1 (0.38) CARM1KDM4EP2RY1POLBMAPT
SCHEMBL302471 0.80 TEAD1 (0.35) CARM1TEAD1TEAD4TEAD2TEAD3
SCHEMBL303820 0.79 LDLR (0.43) CARM1ALDH1A1DRD2MAPT
SCHEMBL305283 0.78 CCNT1 (0.40) TEAD1TEAD4TEAD2TEAD3ALDH1A1
SCHEMBL302927 0.78 CARM1 (0.37) CARM1TEAD1TEAD4TEAD2TEAD3
SCHEMBL304857 0.76 P2RY1 (0.35) CARM1TEAD1TEAD4TEAD2TEAD3
SCHEMBL304201 0.71 TUBB4A (0.38) CARM1ALDH1A1DRD2TUBB4ATUBB
SCHEMBL305481 0.71 CARM1 (0.37) CARM1TEAD1TEAD4TEAD2TEAD3
SCHEMBL304696 0.71 CARM1 (0.37) CARM1TEAD1TEAD4TEAD2TEAD3

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 16 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
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
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 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.