SCHEMBL2126478

SCHEMBL2126478

CC(C)(C)OC(=O)N1CCC[C@H](CNc2nc(Cl)ncc2F)C1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IRAK1 P51617 1/20 0.53
ACKR3 P25106 1/20 0.49
SCN9A Q15858 1/20 0.47
IDO1 P14902 2/20 0.45
MERTK Q12866 1/20 0.45
TDO2 P48775 1/20 0.45
HTR6 P50406 4/20 0.44
BCHE P06276 2/20 0.44
ALOX5AP P20292 1/20 0.44
FEN1 P39748 1/20 0.44
CYP2C9 P11712 1/20 0.44
CCNT1 O60563 1/20 0.43
CDK9 P50750 1/20 0.43
KDM1A O60341 1/20 0.43
TRPV3 Q8NET8 1/20 0.43
BCDIN3D Q7Z5W3 1/20 0.43
GLS O94925 1/20 0.42
CTSD P07339 1/20 0.41
BACE1 P56817 1/20 0.41

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
SCHEMBL2126475 1.00 IRAK1 (0.53) IRAK1ACKR3SCN9AIDO1MERTK
SCHEMBL15055944 0.91 IRAK1 (0.53) IRAK1ACKR3SCN9AIDO1MERTK
SCHEMBL16336888 0.91 IRAK1 (0.53) IRAK1ACKR3SCN9AIDO1MERTK
SCHEMBL16337471 0.91 IRAK1 (0.53) IRAK1ACKR3SCN9AIDO1MERTK
SCHEMBL2464315 0.90 IRAK1 (0.52) IRAK1ACKR3SCN9AIDO1MERTK
SCHEMBL2459363 0.90 IRAK1 (0.52) IRAK1ACKR3SCN9AIDO1MERTK
SCHEMBL2459367 0.90 IRAK1 (0.52) IRAK1ACKR3SCN9AIDO1MERTK
SCHEMBL2464317 0.90 IRAK1 (0.52) IRAK1ACKR3SCN9AIDO1MERTK
SCHEMBL1195416 0.86 IRAK1 (0.49) IRAK1ACKR3SCN9AIDO1MERTK
SCHEMBL1195418 0.86 IRAK1 (0.49) IRAK1ACKR3SCN9AIDO1MERTK

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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3427738-B1 INHIBITORS OF INFLUENZA VIRUSES REPLICATION VERTEX PHARMA (US) 2021-12-01 EP disclosed
US-10874673-B2 Inhibitors of influenza viruses replication VERTEX PHARMACEUTICALS INCORPORATED (US) 2020-12-29 US disclosed
CN-104922128-B Inhibitors of influenza virus replication 沃泰克斯药物股份有限公司 2019-12-20 CN disclosed
CN-110540538-A Inhibitors of influenza virus replication VERTEX PHARMA 2019-12-06 CN disclosed
US-20190151314-A1 INHIBITORS OF INFLUENZA VIRUSES REPLICATION VERTEX PHARMACEUTICALS INCORPORATED 2019-05-23 US disclosed
EP-3427738-A1 INHIBITORS OF INFLUENZA VIRUSES REPLICATION Vertex Pharmaceuticals Incorporated (US) 2019-01-16 EP disclosed
US-10039762-B2 Inhibitors of influenza viruses replication VERTEX PHARMACEUTICALS INCORPORATED (US) 2018-08-07 US disclosed
EP-3141252-B1 INHIBITORS OF INFLUENZA VIRUSES REPLICATION VERTEX PHARMA (US) 2018-07-25 EP disclosed
US-20180078553-A1 INHIBITORS OF INFLUENZA VIRUSES REPLICATION VERTEX PHARMACEUTICALS INCORPORATED 2018-03-22 US disclosed
US-9808459-B2 Inhibitors of influenza viruses replication VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-11-07 US disclosed
US-9345708-B2 Inhibitors of influenza viruses replication VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-05-24 US disclosed
US-20140296201-A1 INHIBITORS OF INFLUENZA VIRUSES REPLICATION VERTEX PHARMACEUTICALS INCORPORATED 2014-10-02 US disclosed
US-20140296201-A1 INHIBITORS OF INFLUENZA VIRUSES REPLICATION VERTEX PHARMACEUTICALS INCORPORATED 2014-10-02 US disclosed
US-8829007-B2 Inhibitors of influenza viruses replication VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-09-09 US disclosed
US-8829007-B2 Inhibitors of influenza viruses replication VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-09-09 US disclosed
US-20140142119-A1 INHIBITORS OF INFLUENZA VIRUSES REPLICATION VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-05-22 US disclosed
US-20140142119-A1 INHIBITORS OF INFLUENZA VIRUSES REPLICATION VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-05-22 US disclosed
US-20120171245-A1 INHIBITORS OF INFLUENZA VIRUSES REPLICATION VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-07-05 US disclosed
EP-2442809-A1 INHIBITORS OF INFLUENZA VIRUSES REPLICATION Vertex Pharmaceuticals Incorporated (US) 2012-04-25 EP disclosed
WO-2010148197-A1 INHIBITORS OF INFLUENZA VIRUSES REPLICATION VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-12-23 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 (7 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-20180078553-A1 INHIBITORS OF INFLUENZA VIRUSES REPLICATION ACE, IRF3, ACE2 IRAK1 1969/4885ACKR3 3816/4885SCN9A 1117/4885
US-20190151314-A1 INHIBITORS OF INFLUENZA VIRUSES REPLICATION ACE, IRF3, ACE2 IRAK1 1969/4885ACKR3 3816/4885SCN9A 1117/4885
US-20140296201-A1 INHIBITORS OF INFLUENZA VIRUSES REPLICATION ACE, IRF3, ACE2 IRAK1 1969/4885ACKR3 3816/4885SCN9A 1117/4885
US-10874673-B2 Inhibitors of influenza viruses replication ACE, IRF3, ACE2 IRAK1 1969/4885ACKR3 3816/4885SCN9A 1117/4885
US-20120171245-A1 INHIBITORS OF INFLUENZA VIRUSES REPLICATION ACE, IRF3, ACE2 IRAK1 1969/4885ACKR3 3816/4885SCN9A 1117/4885
US-10039762-B2 Inhibitors of influenza viruses replication ACE, IRF3, ACE2 IRAK1 1969/4885ACKR3 3816/4885SCN9A 1117/4885
US-20140142119-A1 INHIBITORS OF INFLUENZA VIRUSES REPLICATION ACE, IRF3, ACE2 IRAK1 1969/4885ACKR3 3816/4885SCN9A 1117/4885

“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.