SCHEMBL1832745

SCHEMBL1832745

COC(=O)c1cnc(N2CCN(c3nnc(Nc4ccccc4)c(C)c3C)C[C@H]2C)cn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SMO Q99835 8/20 1.00

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
SCHEMBL30090630 1.00 SMO (1.00) SMO
SCHEMBL28899656 0.92 SMO (0.85) SMO
SCHEMBL30090627 0.90 SMO (1.00) SMO
SCHEMBL13490959 0.90 SMO (1.00) SMO
SCHEMBL15016285 0.86 SMO (0.76) SMO
SCHEMBL13490958 0.86 SMO (0.75) SMO
SCHEMBL30090633 0.86 SMO (0.76) SMO
SCHEMBL1834188 0.86 SMO (0.76) SMO
SCHEMBL30090585 0.84 SMO (0.73) SMO
SCHEMBL1837835 0.84 SMO (0.73) SMO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9409871-B2 Pyridazinyl derivatives as SMO inhibitors NOVARTIS AG (CH) 2016-08-09 US claimed
US-20130261299-A1 PYRIDAZINYL DERIVATIVES AS SMO INHIBITORS NOVARTIS AG (CH) 2013-10-03 US claimed
EP-2318389-B1 PYRIDAZINE DERIVATIVES AS SMO INHIBITORS NOVARTIS AG (CH) 2013-06-19 EP claimed
US-20190015379-A1 USE OF DIANHYDROGALACTITOL AND ANALOGS AND DERIVATIVES THEREOF, TOGETHER WITH RADIATION, TO TREAT NON-SMALL-CELL CARCINOMA OF THE LUNG AND GLIOBLASTOMA MULTIFORME AND SUPPRESS PROLIFERATION OF CANCER STEM CELLS DEL MAR PHARMACEUTICALS (BC) LTD. (CA) 2019-01-17 US disclosed
US-9409871-B2 Pyridazinyl derivatives as SMO inhibitors NOVARTIS AG (CH) 2016-08-09 US disclosed
US-9409871-B2 Pyridazinyl derivatives as SMO inhibitors NOVARTIS AG (CH) 2016-08-09 US disclosed
US-20130261299-A1 PYRIDAZINYL DERIVATIVES AS SMO INHIBITORS NOVARTIS AG (CH) 2013-10-03 US disclosed
US-20130261299-A1 PYRIDAZINYL DERIVATIVES AS SMO INHIBITORS NOVARTIS AG (CH) 2013-10-03 US disclosed
US-8481542-B2 Pyridazinyl derivatives as smo inhibitors NOVARTIS AG (CH) 2013-07-09 US disclosed
EP-2318389-B1 PYRIDAZINE DERIVATIVES AS SMO INHIBITORS NOVARTIS AG (CH) 2013-06-19 EP disclosed
US-20120289507-A1 ORGANIC COMPOUNDS AS SMO INHIBITORS NOVARTIS AG (CH) 2012-11-15 US disclosed
US-20120289507-A1 ORGANIC COMPOUNDS AS SMO INHIBITORS NOVARTIS AG (CH) 2012-11-15 US disclosed
EP-2318389-A1 PYRIDAZINE DERIVATIVES AS SMO INHIBITORS Novartis AG (CH) 2011-05-11 EP disclosed
US-20100041663-A1 Organic Compounds as Smo Inhibitors NOVARTIS AG 2010-02-18 US disclosed
US-20100041663-A1 Organic Compounds as Smo Inhibitors NOVARTIS AG 2010-02-18 US disclosed
WO-2010007120-A1 PYRIDAZINE DERIVATIVES AS SMO INHIBITORS NOVARTIS AG (CH) 2010-01-21 WO disclosed
WO-2010007120-A1 PYRIDAZINE DERIVATIVES AS SMO INHIBITORS NOVARTIS AG (CH) 2010-01-21 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 (4 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-20190015379-A1 USE OF DIANHYDROGALACTITOL AND ANALOGS AND DERIVATIVES THEREOF, TOGETHER WITH RADIATION, TO TREAT NON-SMALL-CELL CARCINOMA OF THE LUNG AND GLIOBLASTOMA MULTIFORME AND SUPPRESS PROLIFERATION OF CANCER STEM CELLS MGMT, DCLRE1A, DNMT1 SMO 1750/4885
US-20130261299-A1 PYRIDAZINYL DERIVATIVES AS SMO INHIBITORS SMO, SHH, GLI1 SMO 1/4885
US-20100041663-A1 Organic Compounds as Smo Inhibitors SMO, GLI1, SHH SMO 1/4885
US-20120289507-A1 ORGANIC COMPOUNDS AS SMO INHIBITORS SMO, GLI1, SHH SMO 1/4885

“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.