SCHEMBL448624

SCHEMBL448624

CC(C)(C)OC(=O)N1CC(O[Si](C)(C)C(C)(C)C)CC1c1cccc(F)c1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 2/20 0.47
PDE5A O76074 1/20 0.40
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
PKM P14618 1/20 0.38
NR1H2 P55055 5/20 0.38
NR1H3 Q13133 4/20 0.38
MAOB P27338 2/20 0.38
MAOA P21397 1/20 0.37
PIK3CD O00329 1/20 0.37
JAK2 O60674 3/20 0.36
NTRK1 P04629 3/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HPGDS O60760 1/20 0.35
RXRA P19793 2/20 0.35
SCD O00767 1/20 0.35
SCD5 Q86SK9 1/20 0.35
SLC6A9 P48067 1/20 0.35

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
SCHEMBL430776 1.00 RIPK1 (0.47) RIPK1PDE5AKDM4EALDH1A1PKM
SCHEMBL38659049 0.87 NR1H2 (0.43) RIPK1NR1H2NR1H3HDAC6RXRA
SCHEMBL4973723 0.87 NR1H2 (0.43) RIPK1NR1H2NR1H3HDAC6RXRA
SCHEMBL20363380 0.86 NTRK1 (0.35) JAK2NTRK1HDAC6
SCHEMBL18588954 0.86 NTRK1 (0.35) JAK2NTRK1HDAC6
SCHEMBL20363379 0.86 NTRK1 (0.35) JAK2NTRK1HDAC6
SCHEMBL18588951 0.86 NTRK1 (0.35) JAK2NTRK1HDAC6
SCHEMBL20363377 0.86 NTRK1 (0.35) JAK2NTRK1HDAC6
SCHEMBL18588905 0.86 NTRK1 (0.35) JAK2NTRK1HDAC6
SCHEMBL15017396 0.84 NTRK1 (0.41) RIPK1NR1H2NR1H3JAK2NTRK1

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
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-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
US-20130331397-A1 COMPOUNDS AND COMPOSITIONS AS TRK INHIBITORS IRM LLC (BM) 2013-12-12 US disclosed
EP-2614062-A1 IMIDAZO [1, 2]PYRIDAZIN COMPOUNDS AND COMPOSITIONS AS TRK INHIBITORS IRM LLC (BM) 2013-07-17 EP 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
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 239/4885PDE5A 3732/4885KDM4E 1511/4885
US-20120065184-A1 COMPOUNDS AND COMPOSITIONS AS TRK INHIBITORS TNK2, CNKSR1, BMP2K RIPK1 168/4885PDE5A 3864/4885KDM4E 1545/4885

“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.