SCHEMBL1921392

SCHEMBL1921392

Cc1ccc(Nc2ncnc3c2CCN(C2CS(=O)(=O)C2)C3)cc1-c1cc2ccccc2cn1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 10/20 0.35
PIK3CD O00329 2/20 0.33
ABL1 P00519 4/20 0.33
NPC1 O15118 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
RAB9A P51151 1/20 0.33
AR P10275 2/20 0.32
MKNK1 Q9BUB5 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
SCHEMBL2027313 0.92 ABL1 (0.36) TRPV1PIK3CDABL1NPC1MAPT
SCHEMBL12582587 0.88 TRPV1 (0.35) TRPV1PIK3CDMAPTARMKNK1
SCHEMBL303368 0.87 TRPV1 (0.35) TRPV1PIK3CDABL1NPC1MAPT
SCHEMBL2032308 0.87 FAAH (0.40) ABL1
SCHEMBL1922134 0.83 BRD9 (0.35) ABL1
SCHEMBL302384 0.82 JAK2 (0.39) TRPV1PIK3CDNPC1MAPTMAPK1
SCHEMBL12582564 0.80 IRAK4 (0.37) TRPV1PIK3CDABL1MAPTAR
SCHEMBL1923784 0.79 FAAH (0.41) ABL1
SCHEMBL1921421 0.79 MKNK1 (0.48) TRPV1MAPTMKNK1
SCHEMBL302350 0.78 AR (0.36) TRPV1PIK3CDNPC1MAPTMAPK1

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9216964-B2 Hedgehog pathway modulators NOVARTIS AG (CH) 2015-12-22 US claimed
US-20130296333-A1 HEDGEHOG PATHWAY MODULATORS IRM LLC (BM) 2013-11-07 US claimed
US-20110152282-A1 HEDGEHOG PATHWAY MODULATORS IRM LLC (BM) 2011-06-23 US 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-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 TRPV1 4050/4885PIK3CD 752/4885ABL1 1795/4885
US-20110152282-A1 HEDGEHOG PATHWAY MODULATORS GLI1, SHH, SMO TRPV1 3673/4885PIK3CD 399/4885ABL1 1325/4885

“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.