SCHEMBL14685266

SCHEMBL14685266

Bc1c[nH]c2ncc(F)cc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK1 P49759 5/20 0.39
DYRK1A Q13627 5/20 0.39
DYRK2 Q92630 2/20 0.39
DYRK1B Q9Y463 2/20 0.39
CLK2 P49760 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
CYP3A4 P08684 2/20 0.38
HTR1A P08908 1/20 0.38
CYP2D6 P10635 1/20 0.38
DRD2 P14416 1/20 0.38
HTR2A P28223 1/20 0.38
HTR7 P34969 1/20 0.38
HTR6 P50406 1/20 0.38
GSK3A P49840 3/20 0.37
GSK3B P49841 3/20 0.37
HSD11B1 P28845 1/20 0.37
FLT3 P36888 2/20 0.36
MAP3K11 Q16584 2/20 0.36
AXL P30530 1/20 0.36
CYP2C9 P11712 1/20 0.36

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
SCHEMBL21902715 0.80 DYRK1A (0.38) CLK1DYRK1ADYRK2DYRK1BCLK2
SCHEMBL29605509 0.77 AXL (0.47) CLK1DYRK1ADYRK2DYRK1BCLK2
SCHEMBL14678434 0.77 AXL (0.47) CLK1DYRK1ADYRK2DYRK1BCLK2
SCHEMBL14041214 0.77 MET (0.43) CYP3A4GSK3AGSK3BAXLCYP2C9
SCHEMBL1880862 0.77 BRD4 (0.47) CLK1DYRK1ADYRK2DYRK1BCLK2
SCHEMBL12657249 0.77 JAK2 (0.54) CLK1DYRK1ADYRK2DYRK1BCLK2
SCHEMBL21893812 0.77 GSK3B (0.56) CLK1DYRK1ADYRK2DYRK1BCLK2
SCHEMBL21902710 0.77 CYP2C19 (0.40) CLK1DYRK1ADYRK2DYRK1BCYP3A4
SCHEMBL2814713 0.77 AXL (0.47) CLK1DYRK1AGSK3AGSK3BHSD11B1
Hydrochloric Acid SCHEMBL21988122 0.76 GSK3B (0.54) CLK1DYRK1ADYRK2DYRK1BCLK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210040092-A1 INHIBITORS OF INFLUENZA VIRUSES REPLICATION VERTEX PHARMACEUTICALS INCORPORATED 2021-02-11 US disclosed
EP-3147284-B1 INHIBITORS OF INFLUENZA VIRUSES REPLICATION VERTEX PHARMA (US) 2019-09-25 EP disclosed
US-20180134730-A1 IMPROVED PROCESS FOR PREPARING BORYL 7-AZAINDOLE COMPOUNDS BOROPHARM INC (US) 2018-05-17 US disclosed
US-20180134730-A1 IMPROVED PROCESS FOR PREPARING BORYL 7-AZAINDOLE COMPOUNDS BOROPHARM INC (US) 2018-05-17 US disclosed
EP-3147284-A1 INHIBITORS OF INFLUENZA VIRUSES REPLICATION Vertex Pharmaceuticals Incorporated (US) 2017-03-29 EP disclosed
EP-2739623-B1 INHIBITORS OF INFLUENZA VIRUSES REPLICATION VERTEX PHARMA (US) 2017-01-11 EP disclosed
US-9394302-B2 Inhibitors of influenza viruses replication VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-07-19 US disclosed
US-9394302-B2 Inhibitors of influenza viruses replication VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-07-19 US disclosed
US-20150191468-A1 INHIBITORS OF INFLUENZA VIRUSES REPLICATION VERTEX PHARMACEUTICALS INCORPORATED 2015-07-09 US disclosed
US-20150191468-A1 INHIBITORS OF INFLUENZA VIRUSES REPLICATION VERTEX PHARMACEUTICALS INCORPORATED 2015-07-09 US disclosed
US-9051319-B2 Inhibitors of influenza viruses replication VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-06-09 US disclosed
US-9051319-B2 Inhibitors of influenza viruses replication VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-06-09 US disclosed
WO-2013019828-A1 INHIBITORS OF INFLUENZA VIRUSES REPLICATION VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-02-07 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-20180134730-A1 IMPROVED PROCESS FOR PREPARING BORYL 7-AZAINDOLE COMPOUNDS AZI2, BCCIP, ADAR CLK1 2736/4885DYRK1A 2799/4885DYRK2 3052/4885
US-20210040092-A1 INHIBITORS OF INFLUENZA VIRUSES REPLICATION ACE, RNASEH1, ACE2 CLK1 2983/4885DYRK1A 4168/4885DYRK2 4188/4885
US-20150191468-A1 INHIBITORS OF INFLUENZA VIRUSES REPLICATION ACE, RNASEH1, ACE2 CLK1 2983/4885DYRK1A 4168/4885DYRK2 4188/4885

“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.