SCHEMBL3341818

SCHEMBL3341818

CCN(C(=O)c1c[c]ccc1)N(C)C

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.36
HPGD P15428 4/20 0.36
TDP1 Q9NUW8 1/20 0.35
MAPT P10636 1/20 0.33
PGR P06401 1/20 0.33
ADRA2A P08913 1/20 0.33
ADRA2B P18089 1/20 0.33
HTR2A P28223 1/20 0.33
HRH1 P35367 1/20 0.33
KCNH2 Q12809 1/20 0.33
KMT2A Q03164 2/20 0.31
MEN1 O00255 1/20 0.31
HTT P42858 1/20 0.31
HDAC1 Q13547 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30
CES2 O00748 1/20 0.30
CES1 P23141 1/20 0.30

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
SCHEMBL2901107 0.83 HPGD (0.40) ALDH1A1HPGDTDP1MAPTPGR
SCHEMBL1206309 0.81 HPGD (0.54) ALDH1A1HPGDTDP1MAPTKMT2A
SCHEMBL2481068 0.80 ALDH1A1 (0.38) ALDH1A1HPGDTDP1MAPTPGR
SCHEMBL2223546 0.80 HPGD (0.36) ALDH1A1HPGDTDP1MAPTKMT2A
SCHEMBL391457 0.79 ALDH1A1 (0.42) ALDH1A1HPGDTDP1MAPTKMT2A
SCHEMBL4628068 0.79 ALDH1A1 (0.30) ALDH1A1HPGDMAPT
SCHEMBL3022483 0.76 NAMPT (0.42) ALDH1A1HPGDTDP1MAPTPGR
SCHEMBL15475072 0.75 TP53 (0.51) ALDH1A1HPGDTDP1HTR2AHDAC1
SCHEMBL6963781 0.73 HSD11B1 (0.31) ALDH1A1HPGDMAPTKMT2AMEN1
SCHEMBL27848441 0.73 CES2 (0.35) ALDH1A1HPGDTDP1CES2CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210276988-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. 2021-09-09 US disclosed
US-10882851-B2 4,6-di- and 2,4,6-trisubstituted quinazoline derivatives useful for treating viral infections GILEAD SCIENCES, INC. (US) 2021-01-05 US disclosed
US-20190152974-A1 SUBSTITUTED PTERIDINES USEFUL FOR THE TREATMENT AND PREVENTION OF VIRAL INFECTIONS GILEAD SCIENCES, INC. 2019-05-23 US disclosed
CN-104744476-B IMIDAZOPYRAZINE Syk INHIBITORS 吉利德康涅狄格公司 2017-04-12 CN disclosed
US-20160257673-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. 2016-09-08 US disclosed
US-9259426-B2 4,6-di- and 2,4,6-trisubstituted quinazoline derivatives useful for treating viral infections GILEAD SCIENCES, INC. (US) 2016-02-16 US disclosed
US-8673929-B2 4,6-di- and 2,4,6-trisubstituted quinazoline derivatives and pharmaceutical compositions useful for treating viral infections GILEAD SCIENCES, INC. (US) 2014-03-18 US disclosed
US-8338435-B2 Substituted pyrido(3,2-D) pyrimidines and pharmaceutical compositions for treating viral infections GILEAD SCIENCES, INC. (US) 2012-12-25 US disclosed
US-20100143299-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2010-06-10 US disclosed
US-20090285782-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2009-11-19 US disclosed
US-20090253696-A1 SUBSTITUTED PYRIDO(3,2-D) PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. 2009-10-08 US disclosed
CN-100396670-C N-substituted 3-aminobenzene-pyrazoles as PDFG receptor inhibitors, pharmaceutical compositions and uses JANSSEN PHARMACEUTICA NV (BE) 2008-06-25 CN disclosed
WO-2008009077-A2 4,6-DL- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-01-24 WO disclosed
CN-1668601-A N-substituted tricyclic 3-aminopyrazoles as PDFG receptor inhibitors JANSSEN PHARMACEUTICA NV (BE) 2005-09-14 CN 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-20100143299-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR TREATING VIRAL INFECTIONS OPRD1, IFNAR1, NR4A1 ALDH1A1 2902/4885HPGD 3242/4885TDP1 4317/4885
US-20210276988-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES USEFUL FOR TREATING VIRAL INFECTIONS NR3C1, NR3C2, NR4A1 ALDH1A1 2743/4885HPGD 3822/4885TDP1 4598/4885
US-20190152974-A1 SUBSTITUTED PTERIDINES USEFUL FOR THE TREATMENT AND PREVENTION OF VIRAL INFECTIONS HCCS, DPYD, HAVCR2 ALDH1A1 1548/4885HPGD 613/4885TDP1 1277/4885
US-20090253696-A1 SUBSTITUTED PYRIDO(3,2-D) PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS FOR TREATING VIRAL INFECTIONS PNPO, PNP, DPYD ALDH1A1 1721/4885HPGD 493/4885TDP1 1073/4885
US-20090285782-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES USEFUL FOR TREATING VIRAL INFECTIONS NR3C1, NR5A2, NR4A1 ALDH1A1 2942/4885HPGD 3287/4885TDP1 4643/4885
US-10882851-B2 4,6-di- and 2,4,6-trisubstituted quinazoline derivatives useful for treating viral infections NR3C1, NR3C2, NR5A2 ALDH1A1 3119/4885HPGD 2973/4885TDP1 4645/4885
US-20160257673-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES USEFUL FOR TREATING VIRAL INFECTIONS NR3C1, NR3C2, NR5A2 ALDH1A1 3119/4885HPGD 2973/4885TDP1 4645/4885

“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.