SCHEMBL304857

SCHEMBL304857

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY1 P47900 3/20 0.35
CARM1 Q86X55 3/20 0.35
TEAD1 P28347 2/20 0.35
TEAD4 Q15561 2/20 0.35
TEAD2 Q15562 2/20 0.35
TEAD3 Q99594 1/20 0.35
KCNJ1 P48048 1/20 0.33
EGLN2 Q96KS0 2/20 0.33
DRD2 P14416 3/20 0.32
DRD3 P35462 3/20 0.32
CCNA2 P20248 1/20 0.32
CDK2 P24941 1/20 0.32
CCNA1 P78396 1/20 0.32
DRD4 P21917 1/20 0.32
OPRM1 P35372 1/20 0.32
PRMT5 O14744 2/20 0.32
WDR77 Q9BQA1 2/20 0.32
BRD4 O60885 1/20 0.32
BRD9 Q9H8M2 1/20 0.32
JAK2 O60674 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
SCHEMBL302471 0.90 TEAD1 (0.35) P2RY1CARM1TEAD1TEAD4TEAD2
SCHEMBL306092 0.90 P2RY1 (0.37) P2RY1CARM1TEAD1TEAD4TEAD2
SCHEMBL304178 0.89 P2RY1 (0.38) P2RY1CARM1BRD4BRD9
SCHEMBL305381 0.88 CARM1 (0.35) P2RY1CARM1TEAD1TEAD4TEAD2
SCHEMBL303738 0.87 JAK2 (0.34) CARM1KCNJ1PRMT5WDR77BRD4
SCHEMBL302927 0.87 CARM1 (0.37) P2RY1CARM1TEAD1TEAD4TEAD2
SCHEMBL305291 0.81 FASN (0.37) EGLN2BRD4BRD9JAK2
SCHEMBL21819911 0.79 JAK2 (0.39) JAK2
SCHEMBL304696 0.79 CARM1 (0.37) P2RY1CARM1TEAD1TEAD4TEAD2
SCHEMBL305481 0.79 CARM1 (0.37) P2RY1CARM1TEAD1TEAD4TEAD2

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 19 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
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
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-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 P2RY1 4100/4885CARM1 473/4885TEAD1 201/4885
US-20110152282-A1 HEDGEHOG PATHWAY MODULATORS GLI1, SHH, SMO P2RY1 4339/4885CARM1 824/4885TEAD1 255/4885

“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.