SCHEMBL430769

SCHEMBL430769

CC(C)(C)OC(=O)N1C[C@H](O)CC1c1cccc(F)c1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 3/20 0.51
JAK2 O60674 7/20 0.46
NTRK1 P04629 7/20 0.46
PIK3CD O00329 2/20 0.45
CYP1A2 P05177 1/20 0.44
POLB P06746 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C19 P33261 1/20 0.44
PDE5A O76074 1/20 0.43
NR1H2 P55055 3/20 0.41
NR1H3 Q13133 2/20 0.41
MAOB P27338 2/20 0.40
MAOA P21397 1/20 0.39

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
SCHEMBL448615 1.00 RIPK1 (0.51) RIPK1JAK2NTRK1PIK3CDCYP1A2
SCHEMBL433245 1.00 RIPK1 (0.51) RIPK1JAK2NTRK1PIK3CDCYP1A2
SCHEMBL448616 1.00 RIPK1 (0.51) RIPK1JAK2NTRK1PIK3CDCYP1A2
SCHEMBL29429632 1.00 RIPK1 (0.51) RIPK1JAK2NTRK1PIK3CDCYP1A2
SCHEMBL461286 0.88 RIPK1 (0.49) RIPK1JAK2NTRK1PIK3CDPDE5A
SCHEMBL10280117 0.88 RIPK1 (0.51) RIPK1JAK2NTRK1PDE5ANR1H2
SCHEMBL29744513 0.88 RIPK1 (0.51) RIPK1JAK2NTRK1PDE5ANR1H2
SCHEMBL430761 0.88 RIPK1 (0.51) RIPK1JAK2NTRK1PDE5ANR1H2
SCHEMBL433225 0.88 RIPK1 (0.51) RIPK1JAK2NTRK1PDE5ANR1H2
SCHEMBL445277 0.88 RIPK1 (0.51) RIPK1JAK2NTRK1PDE5ANR1H2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103492384-B As compound and the composition of TRK inhibitor NOVARTIS AG (CH) 2016-05-11 CN disclosed
EP-2678338-B1 PYRAZOLO[1,5-A]PYRIDINES AS TRK INHIBITORS NOVARTIS AG (CH) 2015-09-09 EP disclosed
EP-2678338-B1 PYRAZOLO[1,5-A]PYRIDINES AS TRK INHIBITORS NOVARTIS AG (CH) 2015-09-09 EP disclosed
US-9102671-B2 Compounds and compositions as TRK inhibitors NOVARTIS AG (CH) 2015-08-11 US disclosed
US-9102671-B2 Compounds and compositions as TRK inhibitors NOVARTIS AG (CH) 2015-08-11 US disclosed
US-9102671-B2 Compounds and compositions as TRK inhibitors NOVARTIS AG (CH) 2015-08-11 US disclosed
US-8637516-B2 Compounds and compositions as TRK inhibitors IRM LLC (BM) 2014-01-28 US disclosed
US-8637516-B2 Compounds and compositions as TRK inhibitors IRM LLC (BM) 2014-01-28 US disclosed
US-8637516-B2 Compounds and compositions as TRK inhibitors IRM LLC (BM) 2014-01-28 US disclosed
EP-2678338-A1 COMPOUNDS AND COMPOSITIONS AS TRK INHIBITORS IRM LLC (BM) 2014-01-01 EP disclosed
CN-103492384-A Compounds and compositions as trk inhibitors IRM LLC 2014-01-01 CN disclosed
US-20130331397-A1 COMPOUNDS AND COMPOSITIONS AS TRK INHIBITORS IRM LLC (BM) 2013-12-12 US disclosed
WO-2012116217-A1 COMPOUNDS AND COMPOSITIONS AS TRK INHIBITORS IRM LLC (BM) 2012-08-30 WO disclosed
WO-2012116217-A1 COMPOUNDS AND COMPOSITIONS AS TRK INHIBITORS IRM LLC (BM) 2012-08-30 WO disclosed
US-20120065184-A1 COMPOUNDS AND COMPOSITIONS AS TRK INHIBITORS IRM LLC (BM) 2012-03-15 US disclosed
US-20120065184-A1 COMPOUNDS AND COMPOSITIONS AS TRK INHIBITORS IRM LLC (BM) 2012-03-15 US disclosed
US-20120065184-A1 COMPOUNDS AND COMPOSITIONS AS TRK INHIBITORS IRM LLC (BM) 2012-03-15 US disclosed
WO-2012034091-A1 IMIDAZO [1, 2] PYRIDAZIN COMPOUNDS AND COMPOSITIONS AS TRK INHIBITORS IRM LLC (BM) 2012-03-15 WO disclosed
WO-2012034095-A1 COMPOUNDS AND COMPOSITIONS AS TRK INHIBITORS IRM LLC (BM) 2012-03-15 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 (2 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-20130331397-A1 COMPOUNDS AND COMPOSITIONS AS TRK INHIBITORS CNKSR1, BMP2K, RAF1 RIPK1 239/4885JAK2 598/4885NTRK1 92/4885
US-20120065184-A1 COMPOUNDS AND COMPOSITIONS AS TRK INHIBITORS TNK2, CNKSR1, BMP2K RIPK1 168/4885JAK2 615/4885NTRK1 131/4885

“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.