SCHEMBL302471

SCHEMBL302471

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TEAD1 P28347 2/20 0.35
TEAD4 Q15561 2/20 0.35
TEAD2 Q15562 2/20 0.35
TEAD3 Q99594 1/20 0.35
CARM1 Q86X55 3/20 0.35
P2RY1 P47900 3/20 0.35
AR P10275 1/20 0.34
PDK1 Q15118 2/20 0.32
PDK2 Q15119 2/20 0.32
EGFR P00533 1/20 0.32
EGLN2 Q96KS0 1/20 0.32
CCNA2 P20248 1/20 0.31
CDK2 P24941 1/20 0.31
CCNA1 P78396 1/20 0.31
C5AR1 P21730 1/20 0.31
IRAK4 Q9NWZ3 1/20 0.31
FAAH O00519 1/20 0.31
KCNJ1 P48048 1/20 0.31
BRD4 O60885 1/20 0.31
BRD9 Q9H8M2 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
SCHEMBL302927 0.92 CARM1 (0.37) TEAD1TEAD4TEAD2TEAD3CARM1
SCHEMBL305381 0.92 CARM1 (0.35) TEAD1TEAD4TEAD2TEAD3CARM1
SCHEMBL304857 0.90 P2RY1 (0.35) TEAD1TEAD4TEAD2TEAD3CARM1
SCHEMBL305481 0.89 CARM1 (0.37) TEAD1TEAD4TEAD2TEAD3CARM1
SCHEMBL304286 0.89 P2RY1 (0.38) CARM1P2RY1EGFRC5AR1FAAH
SCHEMBL13463960 0.88 CARM1 (0.36) TEAD1TEAD4TEAD2TEAD3CARM1
SCHEMBL303738 0.84 JAK2 (0.34) CARM1KCNJ1BRD4BRD9
SCHEMBL304696 0.84 CARM1 (0.37) TEAD1TEAD4TEAD2TEAD3CARM1
SCHEMBL305146 0.82 P2RY1 (0.39) CARM1P2RY1EGFRC5AR1BRD4
SCHEMBL305291 0.81 FASN (0.37) EGLN2IRAK4BRD4BRD9

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
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-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
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 TEAD1 201/4885TEAD4 116/4885TEAD2 109/4885
US-20110152282-A1 HEDGEHOG PATHWAY MODULATORS GLI1, SHH, SMO TEAD1 255/4885TEAD4 146/4885TEAD2 120/4885

“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.