SCHEMBL1624673

SCHEMBL1624673

Nc1ccc(Cl)c(-c2ncc(-c3ccccc3)[nH]2)c1

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 8/20 0.54
SCN2A Q99250 5/20 0.54
MASP2 O00187 1/20 0.49
HPGDS O60760 2/20 0.48
JAK2 O60674 1/20 0.43

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
SCHEMBL15557812 0.81 BCHE (0.43) NPY5RSCN2AJAK2
SCHEMBL4083400 0.80 NQO2 (0.53) NPY5RSCN2AHPGDSJAK2
SCHEMBL15557628 0.79 KDM4E (0.44) NPY5RJAK2
SCHEMBL15556508 0.79 ALOX5 (0.44) NPY5RJAK2
SCHEMBL1624154 0.78 SCN2A (0.49) NPY5RSCN2AHPGDS
SCHEMBL15557904 0.77 ALDH1A1 (0.35) NPY5RSCN2AJAK2
SCHEMBL1630565 0.75 SCN2A (0.65) NPY5RSCN2AMASP2HPGDS
SCHEMBL27756799 0.74 NPY5R (0.54) NPY5RSCN2AMASP2HPGDSJAK2
SCHEMBL31374861 0.74 CYP2A6 (0.54)
SCHEMBL13365533 0.74 CYP2A6 (0.54)

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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090312308-A1 COMPOUNDS AND COMPOSITIONS AS HEDGEHOG SIGNALING PATHWAY MODULATORS IRM LLC (BM) 2009-12-17 US claimed
CN-101501004-A Compounds and compositions as HEDGEHOG pathway modulators IRM LLC (VG) 2009-08-05 CN claimed
EP-2044065-A2 COMPOUNDS AND COMPOSITIONS AS HEDGEHOG PATHWAY MODULATORS IRM, LLC (BM) 2009-04-08 EP claimed
WO-2008014291-A2 COMPOUNDS AND COMPOSITIONS AS HEDGEHOG SIGNALING PATHWAY MODULATORS IRM LLC (BM) 2008-01-31 WO claimed
EP-2875005-B1 N-(3-HETEROARYLARYL)-4-ARYLARYLCARBOXAMTDES AND ANALOGS AS HEDGEHOG PATHWAY INHIBITORS AND USE THEREOF IMPACT THERAPEUTICS INC (CN) 2020-11-11 EP disclosed
US-10676468-B2 N-(3-heteroarylaryl)-4-arylarylcarboxamides and analogs as hedgehog pathway inhibitors and use thereof IMPACT THERAPEUTICS, INC. (CN) 2020-06-09 US disclosed
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-9216964-B2 Hedgehog pathway modulators NOVARTIS AG (CH) 2015-12-22 US disclosed
US-20150191460-A1 N-(3-heteroarylaryl)-4-arylarylcarboxamides and Analogs as Hedgehog Pathway Inhibitors and Use Thereof IMPACT THERAPEUTICS, INC. (CN) 2015-07-09 US disclosed
EP-2875005-A1 N-(3-HETEROARYLARYL)-4-ARYLARYLCARBOXAMTDES AND ANALOGS AS HEDGEHOG PATHWAY INHIBITORS AND USE THEREOF Impact Therapeutics, Inc. (CN) 2015-05-27 EP disclosed
WO-2010027746-A2 HEDGEHOG PATHWAY MODULATORS IRM LLC (BM) 2010-03-11 WO disclosed
US-20090312308-A1 COMPOUNDS AND COMPOSITIONS AS HEDGEHOG SIGNALING PATHWAY MODULATORS IRM LLC (BM) 2009-12-17 US disclosed
US-20090312308-A1 COMPOUNDS AND COMPOSITIONS AS HEDGEHOG SIGNALING PATHWAY MODULATORS IRM LLC (BM) 2009-12-17 US disclosed
US-20090312308-A1 COMPOUNDS AND COMPOSITIONS AS HEDGEHOG SIGNALING PATHWAY MODULATORS IRM LLC (BM) 2009-12-17 US disclosed
CN-101501004-A Compounds and compositions as HEDGEHOG pathway modulators IRM LLC (VG) 2009-08-05 CN disclosed
EP-2044065-A2 COMPOUNDS AND COMPOSITIONS AS HEDGEHOG PATHWAY MODULATORS IRM, LLC (BM) 2009-04-08 EP disclosed
WO-2008014291-A2 COMPOUNDS AND COMPOSITIONS AS HEDGEHOG SIGNALING PATHWAY MODULATORS IRM LLC (BM) 2008-01-31 WO disclosed
WO-2008014291-A2 COMPOUNDS AND COMPOSITIONS AS HEDGEHOG SIGNALING PATHWAY MODULATORS IRM LLC (BM) 2008-01-31 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 (3 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-10676468-B2 N-(3-heteroarylaryl)-4-arylarylcarboxamides and analogs as hedgehog pathway inhibitors and use thereof SHH, GLI1, SMO NPY5R 3360/4885SCN2A 2991/4885MASP2 4798/4885
US-20150191460-A1 N-(3-heteroarylaryl)-4-arylarylcarboxamides and Analogs as Hedgehog Pathway Inhibitors and Use Thereof SHH, GLI1, SMO NPY5R 3360/4885SCN2A 2991/4885MASP2 4798/4885
US-20090312308-A1 COMPOUNDS AND COMPOSITIONS AS HEDGEHOG SIGNALING PATHWAY MODULATORS GLI1, SHH, SMO NPY5R 4339/4885SCN2A 1660/4885MASP2 4503/4885

“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.