SCHEMBL14685262

SCHEMBL14685262

CC1(C)OB(c2c[nH]c3ncc(F)cc23)OC1(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 6/20 0.38
GSK3B P49841 6/20 0.38
LPL P06858 1/20 0.33
LIPG Q9Y5X9 1/20 0.33
FLT3 P36888 4/20 0.33
PIK3CG P48736 4/20 0.33
SRC P12931 3/20 0.33
JAK2 O60674 2/20 0.33
ROCK2 O75116 2/20 0.33
KDR P35968 2/20 0.33
ROCK1 Q13464 2/20 0.33
CDK2 P24941 1/20 0.33
PLK1 P53350 1/20 0.33
IRAK4 Q9NWZ3 1/20 0.33
CXCR2 P25025 1/20 0.32
CYP3A4 P08684 3/20 0.32
HTR1A P08908 1/20 0.32
CYP2D6 P10635 1/20 0.32
DRD2 P14416 1/20 0.32
HTR2A P28223 1/20 0.32

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
SCHEMBL16775466 0.84 CYP2C19 (0.33) GSK3AGSK3BCYP3A4CYP2C9
SCHEMBL31152368 0.84 CYP2C19 (0.33) GSK3AGSK3BCYP3A4CYP2C9
SCHEMBL31152357 0.83 JAK2 (0.43) FLT3SRCJAK2KDRCYP3A4
SCHEMBL12573129 0.83 JAK2 (0.43) FLT3SRCJAK2KDRCYP3A4
SCHEMBL18270927 0.83 AURKA (0.43) GSK3AGSK3BFLT3JAK2ROCK2
SCHEMBL5138075 0.77 RPS6KA5 (0.37)
SCHEMBL15393439 0.75 LPL (0.41) LPLLIPGJAK2CXCR2LIPE
SCHEMBL12572870 0.75 KIT (0.50) GSK3BCDK2KIT
SCHEMBL21961971 0.75 MAPK1 (0.42) PIK3CDPIK3CB
SCHEMBL22947113 0.74 GSK3A (0.35) GSK3AGSK3BLPLLIPG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11345700-B2 Methods of preparing inhibitors of influenza viruses replication VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-05-31 US disclosed
US-20210008072-A1 FORMULATIONS OF AZAINDOLE COMPOUNDS VERTEX PHARMACEUTICALS INCORPORATED 2021-01-14 US disclosed
EP-3294717-B1 METHODS OF PREPARING INHIBITORS OF INFLUENZA VIRUSES REPLICATION VERTEX PHARMA (US) 2020-07-29 EP disclosed
US-20200207765-A1 METHODS OF PREPARING INHIBITORS OF INFLUENZA VIRUSES REPLICATION VERTEX PHARMACEUTICALS INCORPORATED 2020-07-02 US disclosed
US-10640501-B2 Methods of preparing inhibitors of influenza viruses replication VERTEX PHARMACEUTICALS INCORPORATED (US) 2020-05-05 US disclosed
EP-3147284-B1 INHIBITORS OF INFLUENZA VIRUSES REPLICATION VERTEX PHARMA (US) 2019-09-25 EP disclosed
US-10023569-B2 Methods of preparing inhibitors of influenza viruses replication VERTEX PHARMACEUTICALS INCORPORATED (US) 2018-07-17 US 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
US-9908878-B2 Inhibitors of influenza viruses replication VERTEX PHARMACEUTICALS INCORPORATED (US) 2018-03-06 US disclosed
EP-2739623-B1 INHIBITORS OF INFLUENZA VIRUSES REPLICATION VERTEX PHARMA (US) 2017-01-11 EP disclosed
US-20160355512-A1 INHIBITORS OF INFLUENZA VIRUSES REPLICATION VERTEX PHARMACEUTICALS INCORPORATED 2016-12-08 US disclosed
US-20160355512-A1 INHIBITORS OF INFLUENZA VIRUSES REPLICATION VERTEX PHARMACEUTICALS INCORPORATED 2016-12-08 US disclosed
WO-2016191079-A1 IMPROVED PROCESS FOR PREPARING BORYL 7-AZAINDOLE COMPOUNDS BOROPHARM, INC. (US) 2016-12-01 WO disclosed
US-20160251353-A1 INHIBITORS OF INFLUENZA VIRUSES REPLICATION VERTEX PHARMACEUTICALS INCORPORATED 2016-09-01 US disclosed
US-20160251353-A1 INHIBITORS OF INFLUENZA VIRUSES REPLICATION VERTEX PHARMACEUTICALS INCORPORATED 2016-09-01 US disclosed
WO-2015073491-A1 FORMULATIONS OF AZAINDOLE COMPOUNDS VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-05-21 WO disclosed
WO-2015073481-A1 METHODS OF PREPARING INHIBITORS OF INFLUENZA VIRUSES REPLICATION VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-05-21 WO disclosed
WO-2015073476-A1 INHIBITORS OF INFLUENZA VIRUSES REPLICATION VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-05-21 WO 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 (8 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-20210008072-A1 FORMULATIONS OF AZAINDOLE COMPOUNDS H1-0, H1-5, H1-2 GSK3A 1966/4885GSK3B 2194/4885LPL 2387/4885
US-20160251353-A1 INHIBITORS OF INFLUENZA VIRUSES REPLICATION CLIC1, NHERF1, ZC3HAV1 GSK3A 3657/4885GSK3B 3607/4885LPL 3749/4885
US-10023569-B2 Methods of preparing inhibitors of influenza viruses replication ZC3HAV1, ZC3HAV1L, POLR2H GSK3A 560/4885GSK3B 517/4885LPL 4046/4885
US-10640501-B2 Methods of preparing inhibitors of influenza viruses replication ZC3HAV1, ZC3HAV1L, POLR2H GSK3A 560/4885GSK3B 517/4885LPL 4046/4885
US-20180134730-A1 IMPROVED PROCESS FOR PREPARING BORYL 7-AZAINDOLE COMPOUNDS AZI2, BCCIP, ADAR GSK3A 2267/4885GSK3B 2228/4885LPL 3046/4885
US-11345700-B2 Methods of preparing inhibitors of influenza viruses replication ZC3HAV1, ZC3HAV1L, POLR2H GSK3A 560/4885GSK3B 517/4885LPL 4046/4885
US-20160355512-A1 INHIBITORS OF INFLUENZA VIRUSES REPLICATION ACE, RNASEH1, ACE2 GSK3A 997/4885GSK3B 924/4885LPL 1973/4885
US-20200207765-A1 METHODS OF PREPARING INHIBITORS OF INFLUENZA VIRUSES REPLICATION ZC3HAV1, ZC3HAV1L, POLR2H GSK3A 560/4885GSK3B 517/4885LPL 4046/4885

“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.