SCHEMBL3115181

SCHEMBL3115181

Brc1ccc2ncnc(N3CCCCC3)c2c1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 9/20 0.74
NPSR1 Q6W5P4 3/20 0.68
ALDH1A1 P00352 2/20 0.68
LMNA P02545 4/20 0.60
MAPT P10636 3/20 0.60
TSHR P16473 2/20 0.60
PRNP P04156 1/20 0.60
ALOX15 P16050 1/20 0.60
PPARG P37231 1/20 0.60
RXFP1 Q9HBX9 1/20 0.60
NR2E3 Q9Y5X4 1/20 0.60
NCOR2 Q9Y618 1/20 0.60
PRKDC P78527 2/20 0.50
ACHE P22303 1/20 0.50
BACE1 P56817 1/20 0.50
PDGFRB P09619 1/20 0.50
MAP4K4 O95819 1/20 0.49
MAPK1 P28482 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
JAK3 P52333 2/20 0.48

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
SCHEMBL22715242 0.95 HTT (0.76) HTTNPSR1ALDH1A1LMNAMAPT
SCHEMBL2797008 0.85 HTT (1.00) HTTNPSR1ALDH1A1LMNAMAPT
SCHEMBL4349956 0.85 HTT (1.00) HTTNPSR1ALDH1A1LMNATSHR
SCHEMBL3117120 0.85 HTT (0.70) HTTNPSR1ALDH1A1LMNAMAPT
Hydrochloric Acid SCHEMBL2796907 0.84 HTT (0.97) HTTNPSR1ALDH1A1LMNAMAPT
SCHEMBL3848130 0.82 HTT (0.71) HTTNPSR1ALDH1A1LMNAMAPT
SCHEMBL12497597 0.81 HTT (0.73) HTTNPSR1ALDH1A1LMNATSHR
SCHEMBL13621630 0.81 HTT (1.00) HTTNPSR1ALDH1A1MAPTACHE
SCHEMBL1734528 0.81 PRKDC (0.53) HTTNPSR1ALDH1A1LMNAMAPT
SCHEMBL4351530 0.80 HTT (0.71) HTTNPSR1ALDH1A1LMNAMAPT

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-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 claimed
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-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-20100179144-A1 QUINAZOLINE DERIVATIVES AS P13 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION 2010-07-15 US disclosed
EP-2167092-A2 QUINAZOLINE DERIVATIVES AS PI3 KINASE INHIBITORS GlaxoSmithKline LLC (US) 2010-03-31 EP 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
EP-2048142-A2 Nitrogen-containing condensed cyclic compound having a pyrazolyl group as a substituent group and pharmaceutical composition thereof Eisai R&D Management Co., Ltd. (JP) 2009-04-15 EP disclosed
US-20090018131-A1 QUINAZOLINE DERIVATIVES AS P13 KINASE INHIBITORS ADAMS NICHOLAS D 2009-01-15 US disclosed
WO-2008157191-A2 QUINAZOLINE DERIVATIVES AS PI3 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2008-12-24 WO disclosed
EP-1382603-B1 NITROGENOUS FUSED-RING COMPOUND HAVING PYRAZOLYL GROUP AS SUBSTITUENT AND MEDICINAL COMPOSITION THEREOF EISAI R&D MAN CO LTD (JP) 2008-07-23 EP disclosed
US-7074801-B1 Nitrogen-containing condensed cyclic compound having a pyrazolyl group as a substituent group and pharmaceutical composition thereof EISAI CO., LTD. (JP) 2006-07-11 US disclosed
EP-1382603-A1 NITROGENOUS FUSED−RING COMPOUND HAVING PYRAZOLYL GROUP AS SUBSTITUENT AND MEDICINAL COMPOSITION THEREOF Eisai Co., Ltd. (JP) 2004-01-21 EP 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 (6 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-20100179144-A1 QUINAZOLINE DERIVATIVES AS P13 KINASE INHIBITORS JAK3, PI4KA, AKT3 HTT 1803/4885NPSR1 1913/4885ALDH1A1 3458/4885
US-20210276988-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES USEFUL FOR TREATING VIRAL INFECTIONS NR3C1, NR3C2, NR4A1 HTT 2808/4885NPSR1 44/4885ALDH1A1 2743/4885
US-20090285782-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES USEFUL FOR TREATING VIRAL INFECTIONS NR3C1, NR5A2, NR4A1 HTT 2522/4885NPSR1 30/4885ALDH1A1 2942/4885
US-10882851-B2 4,6-di- and 2,4,6-trisubstituted quinazoline derivatives useful for treating viral infections NR3C1, NR3C2, NR5A2 HTT 2545/4885NPSR1 33/4885ALDH1A1 3119/4885
US-20160257673-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES USEFUL FOR TREATING VIRAL INFECTIONS NR3C1, NR3C2, NR5A2 HTT 2545/4885NPSR1 33/4885ALDH1A1 3119/4885
US-20090018131-A1 QUINAZOLINE DERIVATIVES AS P13 KINASE INHIBITORS JAK3, PI4KA, AKT3 HTT 1803/4885NPSR1 1913/4885ALDH1A1 3458/4885

“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.