SCHEMBL302927

SCHEMBL302927

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

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CARM1 Q86X55 3/20 0.37
AR P10275 1/20 0.34
P2RY1 P47900 1/20 0.33
PRMT5 O14744 5/20 0.32
WDR77 Q9BQA1 5/20 0.32
IRAK4 Q9NWZ3 2/20 0.32
TEAD1 P28347 1/20 0.32
TEAD4 Q15561 1/20 0.32
TEAD2 Q15562 1/20 0.32
TEAD3 Q99594 1/20 0.32
PDK1 Q15118 1/20 0.32
PDK2 Q15119 1/20 0.32
EGLN2 Q96KS0 3/20 0.32
TNF P01375 1/20 0.31
SCN9A Q15858 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
KCNJ1 P48048 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
SCHEMBL302471 0.92 TEAD1 (0.35) CARM1ARP2RY1IRAK4TEAD1
SCHEMBL305381 0.90 CARM1 (0.35) CARM1ARP2RY1PRMT5WDR77
SCHEMBL303798 0.89 CARM1 (0.39) CARM1P2RY1PRMT5WDR77IRAK4
SCHEMBL13463959 0.88 CARM1 (0.38) CARM1P2RY1PRMT5WDR77
SCHEMBL304351 0.88 CARM1 (0.38) CARM1P2RY1KDM4E
SCHEMBL304857 0.87 P2RY1 (0.35) CARM1P2RY1PRMT5WDR77TEAD1
SCHEMBL303738 0.84 JAK2 (0.34) CARM1PRMT5WDR77KCNJ1
SCHEMBL305146 0.82 P2RY1 (0.39) CARM1P2RY1
SCHEMBL305291 0.81 FASN (0.37) IRAK4EGLN2SCN9A
SCHEMBL304696 0.81 CARM1 (0.37) CARM1P2RY1TEAD1TEAD4TEAD2

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 12 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

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 473/4885AR 3362/4885P2RY1 4100/4885
US-20110152282-A1 HEDGEHOG PATHWAY MODULATORS GLI1, SHH, SMO CARM1 824/4885AR 3164/4885P2RY1 4339/4885

“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.