SCHEMBL4367879

SCHEMBL4367879

CNc1cccc(CN2CCOCC2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 1/20 0.60
SMN1; SMN2 Q16637 3/20 0.56
ALDH1A1 P00352 2/20 0.56
HTT P42858 2/20 0.55
KDM4E B2RXH2 1/20 0.55
HPGD P15428 1/20 0.55
NOS1 P29475 1/20 0.55
LMNA P02545 2/20 0.51
KDM1A O60341 1/20 0.51
RCOR1 Q9UKL0 1/20 0.51
PDCD1 Q15116 1/20 0.49
CD274 Q9NZQ7 1/20 0.49
HRH3 Q9Y5N1 1/20 0.49
JAK2 O60674 2/20 0.47
JAK3 P52333 2/20 0.47
PTK2 Q05397 1/20 0.47
NPC1 O15118 2/20 0.47
TP53 P04637 2/20 0.47
RAB9A P51151 2/20 0.47
HIF1A Q16665 2/20 0.47

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
SCHEMBL1702576 0.88 NCF1 (0.57) NCF1SMN1; SMN2ALDH1A1HTTKDM4E
SCHEMBL922710 0.85 PRMT6 (0.57) NCF1SMN1; SMN2ALDH1A1KDM4EHRH3
SCHEMBL13489848 0.85 SIGMAR1 (0.54) NCF1SMN1; SMN2ALDH1A1LMNAHRH3
SCHEMBL13946389 0.84 NCF1 (0.65) NCF1SMN1; SMN2ALDH1A1HTTKDM4E
SCHEMBL6736373 0.84 SMN1; SMN2 (0.58) NCF1SMN1; SMN2ALDH1A1HTTKDM4E
Hydrochloric Acid SCHEMBL4192881 0.83 NCF1 (0.63) NCF1SMN1; SMN2ALDH1A1HTTKDM4E
SCHEMBL11196105 0.83 NCF1 (0.83) NCF1SMN1; SMN2ALDH1A1HTTKDM4E
SCHEMBL5496809 0.83 MC4R (0.59) NCF1LMNAHRH3JAK2JAK3
SCHEMBL28175640 0.83 ALDH1A1 (0.56) SMN1; SMN2ALDH1A1KDM4ELMNANPC1
SCHEMBL13490010 0.82 SIGMAR1 (0.61) SMN1; SMN2ALDH1A1HTTKDM4ETSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12049461-B2 4,6-di- and 2,4,6-trisubstituted quinazoline derivatives useful for treating viral infections GILEAD SCIENCES, INC. (US) 2024-07-30 US disclosed
CN-114805341-B Aromatic heterocyclic compound, and preparation method and application thereof 上海翊石医药科技有限公司 2023-12-08 CN disclosed
CN-114805341-A Aromatic heterocyclic compounds and preparation method and application thereof 上海翊石医药科技有限公司 2022-07-29 CN disclosed
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
EP-3319955-B1 6-AMINO-QUINOLINE-3-CARBONITRILS AS COT MODULATORS GILEAD SCIENCES INC (US) 2020-11-25 EP disclosed
US-20170320870-A1 COMPOUNDS MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2017-11-09 US disclosed
US-20170320870-A1 COMPOUNDS MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2017-11-09 US 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-20100317646-A1 COMPOUNDS MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2010-12-16 US disclosed
US-20100317646-A1 COMPOUNDS MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2010-12-16 US disclosed
WO-2010106333-A1 COMPOUNDS MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2010-09-23 WO disclosed
US-20100048891-A1 METASUBSTITUTED THIAZOLIDINONES, THEIR MANUFACTURE AND USE AS A DRUG SCHULZE KLAUSE 2010-02-25 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
WO-2008009078-A2 4,6-DL- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-01-24 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-20100048891-A1 METASUBSTITUTED THIAZOLIDINONES, THEIR MANUFACTURE AND USE AS A DRUG PLK2, PDXK, PLK4 NCF1 4191/4885SMN1; SMN2 2774/4885ALDH1A1 1600/4885
US-12049461-B2 4,6-di- and 2,4,6-trisubstituted quinazoline derivatives useful for treating viral infections NR3C1, NR3C2, NR4A1 NCF1 1648/4885SMN1; SMN2 3900/4885ALDH1A1 2743/4885
US-20170320870-A1 COMPOUNDS CBR3, CNR1, HCAR3 NCF1 1870/4885SMN1; SMN2 3173/4885ALDH1A1 2980/4885
US-20210276988-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES USEFUL FOR TREATING VIRAL INFECTIONS NR3C1, NR3C2, NR4A1 NCF1 1648/4885SMN1; SMN2 3900/4885ALDH1A1 2743/4885
US-20090285782-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES USEFUL FOR TREATING VIRAL INFECTIONS NR3C1, NR5A2, NR4A1 NCF1 1289/4885SMN1; SMN2 3897/4885ALDH1A1 2942/4885
US-10882851-B2 4,6-di- and 2,4,6-trisubstituted quinazoline derivatives useful for treating viral infections NR3C1, NR3C2, NR5A2 NCF1 1388/4885SMN1; SMN2 3908/4885ALDH1A1 3119/4885
US-20160257673-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES USEFUL FOR TREATING VIRAL INFECTIONS NR3C1, NR3C2, NR5A2 NCF1 1388/4885SMN1; SMN2 3908/4885ALDH1A1 3119/4885
US-20100317646-A1 COMPOUNDS CBR3, CNR1, HCAR3 NCF1 1867/4885SMN1; SMN2 3183/4885ALDH1A1 2975/4885

“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.