SCHEMBL1829533

SCHEMBL1829533

Cc1c(Cc2ccccc2)nnc(N2CCN(C(=O)Oc3ccccc3)CC2)c1C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMO Q99835 9/20 1.00
CDK1 P06493 7/20 0.53
IGF1R P08069 7/20 0.53
FGFR1 P11362 7/20 0.53
BRAF P15056 7/20 0.53
FGFR2 P21802 7/20 0.53
FGFR4 P22455 7/20 0.53
FGFR3 P22607 7/20 0.53
JAK1 P23458 7/20 0.53
CDK2 P24941 7/20 0.53
AXL P30530 7/20 0.53
CDK5 Q00535 7/20 0.53
PTK2B Q14289 7/20 0.53

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
SCHEMBL27817205 0.86 SMO (0.75) SMOCDK1IGF1RFGFR1BRAF
SCHEMBL1830461 0.80 SMO (1.00) SMOCDK1IGF1RFGFR1BRAF
SCHEMBL1832485 0.80 SMO (1.00) SMOCDK1IGF1RFGFR1BRAF
SCHEMBL1829543 0.77 SMO (0.65) SMO
SCHEMBL1828456 0.76 SMO (1.00) SMO
SCHEMBL1842116 0.76 SMO (0.68) SMO
SCHEMBL1828308 0.76 SMO (0.61) SMO
SCHEMBL1831154 0.75 SMO (0.60) SMO
SCHEMBL1830467 0.74 SMO (0.70) SMO
SCHEMBL1830421 0.74 SMO (0.59) 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 18 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
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-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
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
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
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 (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 1/4885CDK1 46/4885IGF1R 261/4885
US-20100041663-A1 Organic Compounds as Smo Inhibitors SMO, GLI1, SHH SMO 1/4885CDK1 341/4885IGF1R 702/4885
US-20120289507-A1 ORGANIC COMPOUNDS AS SMO INHIBITORS SMO, GLI1, SHH SMO 1/4885CDK1 341/4885IGF1R 702/4885

“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.