SCHEMBL2027313

SCHEMBL2027313

Cc1ccc(Nc2ncnc3c2CCN(C2CCS(=O)(=O)CC2)C3)cc1-c1cc2ccccc2cn1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 4/20 0.36
TRPV1 Q8NER1 7/20 0.34
PIK3CD O00329 2/20 0.33
IRAK4 Q9NWZ3 1/20 0.33
SLC2A1 P11166 4/20 0.32
SLC2A3 P11169 4/20 0.32
NPC1 O15118 1/20 0.32
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32
RAB9A P51151 1/20 0.32
AR P10275 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
SCHEMBL1921392 0.92 TRPV1 (0.35) ABL1TRPV1PIK3CDNPC1MAPT
SCHEMBL303368 0.89 TRPV1 (0.35) ABL1TRPV1PIK3CDNPC1MAPT
SCHEMBL12582564 0.88 IRAK4 (0.37) ABL1TRPV1PIK3CDIRAK4MAPT
SCHEMBL1923784 0.88 FAAH (0.41) ABL1
SCHEMBL302384 0.83 JAK2 (0.39) TRPV1PIK3CDNPC1MAPTMAPK1
SCHEMBL12582587 0.80 TRPV1 (0.35) TRPV1PIK3CDIRAK4MAPTAR
SCHEMBL2032308 0.79 FAAH (0.40) ABL1
SCHEMBL12642049 0.79 ABL1 (0.34) ABL1
SCHEMBL1921421 0.78 MKNK1 (0.48) TRPV1MAPT
SCHEMBL302350 0.77 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 9 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

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 ABL1 1795/4885TRPV1 4050/4885PIK3CD 752/4885
US-20110152282-A1 HEDGEHOG PATHWAY MODULATORS GLI1, SHH, SMO ABL1 1325/4885TRPV1 3673/4885PIK3CD 399/4885

“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.