Sugi Predict

Sugi Predict / Compounds / SCHEMBL2744864

SCHEMBL2744864

SCHEMBL2744864

Nc1ccc(N2CCCN(Cc3ccccc3)CC2)nc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 1/20 0.60
▸ MAPT P10636 2/20 0.56
▸ ALDH1A1 P00352 2/20 0.56
▸ NPBWR1 P48145 1/20 0.56
▸ MCHR1 Q99705 1/20 0.56
▸ L3MBTL1 Q9Y468 1/20 0.56
▸ OPRM1 P35372 1/20 0.54
▸ OPRK1 P41145 1/20 0.54
▸ NPC1 O15118 2/20 0.53
▸ RAB9A P51151 2/20 0.53
▸ CASP1 P29466 1/20 0.53
▸ CASP5 P51878 1/20 0.53
▸ HTT P42858 1/20 0.48
▸ DRD4 P21917 1/20 0.48
▸ SIGMAR1 Q99720 1/20 0.47
▸ GAA P10253 1/20 0.47
▸ GRIN2D O15399 1/20 0.46
▸ GRIN3B O60391 1/20 0.46
▸ GRIN1 Q05586 1/20 0.46
▸ GRIN2A Q12879 1/20 0.46

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
SCHEMBL2744707 0.95 ALDH1A1 (0.61) HRH3MAPTALDH1A1NPBWR1MCHR1
SCHEMBL2744129 0.88 CASP1 (0.54) HRH3MAPTALDH1A1NPBWR1MCHR1
SCHEMBL2744080 0.88 CASP1 (0.59) HRH3MAPTALDH1A1NPBWR1MCHR1
SCHEMBL2744072 0.84 KDM4E (0.49) HRH3ALDH1A1OPRM1OPRK1DRD4
SCHEMBL2744889 0.83 OPRM1 (0.47) HRH3MAPTALDH1A1NPBWR1MCHR1
SCHEMBL2744105 0.82 CASP1 (0.52) HRH3MAPTALDH1A1NPBWR1MCHR1
SCHEMBL2744600 0.82 SIGMAR1 (0.57) MAPTALDH1A1NPBWR1MCHR1L3MBTL1
SCHEMBL2744916 0.82 CASP1 (0.57) MAPTALDH1A1NPBWR1MCHR1L3MBTL1
SCHEMBL2744937 0.81 ALDH1A1 (0.49) HRH3MAPTALDH1A1NPBWR1MCHR1
SCHEMBL2744100 0.80 RET (0.46) HRH3MAPTALDH1A1NPBWR1MCHR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2363393-B1 Compounds and compositions as hedgehog pathway modulators NOVARTIS AG (CH) 2015-08-12 — — EP claimed
US-20120196849-A1 COMPOUNDS AND COMPOSITIONS AS HEDGEHOG PATHWAY MODULATORS IRM LLC (BM) 2012-08-02 — — US claimed
US-8178563-B2 Compounds and compositions as hedgehog pathway modulators IRM LLC (BM) 2012-05-15 — — US claimed
US-20100197659-A1 BIPHENYLCARBOXAMIDE DERIVATIVES AS HEDGEHOD PATHWAY MODULATORS IRM LLC (BM) 2010-08-05 — — US claimed
EP-2162190-A1 BIPHENYLCARBOXAMIDE DERIVATIVES AS HEDGEHOG PATHWAY MODULATORS IRM LLC (BM) 2010-03-17 — — EP claimed
US-20090203666-A1 COMPOUNDS AND COMPOSITIONS AS HEDGEHOG PATHWAY MODULATORS IRM LLC (BM) 2009-08-13 — — US claimed
EP-2021328-A2 COMPOUNDS AND COMPOSITIONS AS HEDGEHOG PATHWAY MODULATORS IRM LLC (BM) 2009-02-11 — — EP claimed
WO-2008154259-A1 BIPHENYLCARBOXAMIDE DERIVATIVES AS HEDGEHOG PATHWAY MODULATORS IRM LLC (BM) 2008-12-18 — — WO claimed
WO-2007131201-A2 COMPOUNDS AND COMPOSITIONS AS HEDGEHOG PATHWAY MODULATORS IRM LLC (BM) 2007-11-15 — — WO claimed
EP-3023097-A1 SMOOTHENED ANTAGONISM FOR THE TREATMENT OF HEDGEHOG PATHWAY-RELATED DISORDERS Novartis AG (CH) 2016-05-25 — — EP disclosed
EP-2363393-B1 Compounds and compositions as hedgehog pathway modulators NOVARTIS AG (CH) 2015-08-12 — — EP disclosed
US-20150209365-A1 Methods and Compositions for Treating Luekemia NOVARTIS AG (CH) 2015-07-30 — — US disclosed
US-20150025074-A1 METHODS AND COMPOSITIONS FOR TREATING SOLID TUMORS AND OTHER MALIGNANCIES BUONAMICI SILVIA (US) 2015-01-22 — — US disclosed
US-20140200217-A1 SMOOTHENED ANTAGONISM FOR THE TREATMENT OF HEDGEHOG PATHWAY-RELATED DISORDERS DORSCH MARION (US) 2014-07-17 — — US disclosed
WO-2010037715-A1 SMOOTHENED ANTAGONISM FOR THE TREATMENT OF HEDGEHOG PATHWAY-RELATED DISORDERS NOVARTIS AG (CH) 2010-04-08 — — WO disclosed
EP-2162190-A1 BIPHENYLCARBOXAMIDE DERIVATIVES AS HEDGEHOG PATHWAY MODULATORS IRM LLC (BM) 2010-03-17 — — EP disclosed
US-20090203666-A1 COMPOUNDS AND COMPOSITIONS AS HEDGEHOG PATHWAY MODULATORS IRM LLC (BM) 2009-08-13 — — US disclosed
EP-2021328-A2 COMPOUNDS AND COMPOSITIONS AS HEDGEHOG PATHWAY MODULATORS IRM LLC (BM) 2009-02-11 — — EP disclosed
WO-2008154259-A1 BIPHENYLCARBOXAMIDE DERIVATIVES AS HEDGEHOG PATHWAY MODULATORS IRM LLC (BM) 2008-12-18 — — WO disclosed
WO-2007131201-A2 COMPOUNDS AND COMPOSITIONS AS HEDGEHOG PATHWAY MODULATORS IRM LLC (BM) 2007-11-15 — — 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 (6 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-20150025074-A1 METHODS AND COMPOSITIONS FOR TREATING SOLID TUMORS AND OTHER MALIGNANCIES MTOR, ULK1, HRAS HRH3 2457/4885MAPT 2974/4885ALDH1A1 4518/4885
US-20150209365-A1 Methods and Compositions for Treating Luekemia MCL1, ABL1, BCR HRH3 968/4885MAPT 2530/4885ALDH1A1 1851/4885
US-20100197659-A1 BIPHENYLCARBOXAMIDE DERIVATIVES AS HEDGEHOD PATHWAY MODULATORS GLI1, SHH, GLI2 HRH3 1741/4885MAPT 4534/4885ALDH1A1 1475/4885
US-20090203666-A1 COMPOUNDS AND COMPOSITIONS AS HEDGEHOG PATHWAY MODULATORS GLI1, SHH, SMO HRH3 4089/4885MAPT 4520/4885ALDH1A1 2214/4885
US-20120196849-A1 COMPOUNDS AND COMPOSITIONS AS HEDGEHOG PATHWAY MODULATORS GLI1, SHH, SMO HRH3 4089/4885MAPT 4520/4885ALDH1A1 2214/4885
US-20140200217-A1 SMOOTHENED ANTAGONISM FOR THE TREATMENT OF HEDGEHOG PATHWAY-RELATED DISORDERS GLI1, SHH, SMO HRH3 3333/4885MAPT 3710/4885ALDH1A1 2845/4885

“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.