SCHEMBL1828308

SCHEMBL1828308

Cc1c(Cc2ccccc2)nnc(N2CCC(C)(C(=O)O)CC2)c1C

nearest known ligand 0.61

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SMO Q99835 14/20 0.61

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
SCHEMBL1830421 0.88 SMO (0.59) SMO
SCHEMBL27817205 0.81 SMO (0.75) SMO
SCHEMBL1842116 0.81 SMO (0.68) SMO
SCHEMBL1829543 0.80 SMO (0.65) SMO
SCHEMBL3212030 0.80 SMO (0.62) SMO
SCHEMBL1830467 0.77 SMO (0.70) SMO
SCHEMBL1828456 0.76 SMO (1.00) SMO
SCHEMBL1832485 0.76 SMO (1.00) SMO
SCHEMBL1830461 0.76 SMO (1.00) SMO
SCHEMBL1829533 0.76 SMO (1.00) 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 10 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 disclosed
CN-102143958-B Pyridazine derivatives as SMO inhibitors NOVARTIS AG 2013-12-18 CN 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
CN-102143958-A Pyridazine derivatives as SMO inhibitors NOVARTIS AG 2011-08-03 CN 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
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 (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-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.