SCHEMBL2447579

SCHEMBL2447579

O=c1[nH]cnc2c(Cl)cccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 9/20 1.00
AURKA O14965 2/20 1.00
DAPK3 O43293 2/20 1.00
PRKD3 O94806 2/20 1.00
MAP4K4 O95819 2/20 1.00
RET P07949 2/20 1.00
IGF1R P08069 2/20 1.00
PIM1 P11309 2/20 1.00
CLK2 P49760 2/20 1.00
GSK3A P49840 2/20 1.00
GSK3B P49841 2/20 1.00
PRKX P51817 2/20 1.00
BTK Q06187 2/20 1.00
TYRO3 Q06418 2/20 1.00
DYRK1A Q13627 2/20 1.00
NTRK3 Q16288 2/20 1.00
TAOK1 Q7L7X3 2/20 1.00
CLK4 Q9HAZ1 2/20 1.00
ALK Q9UM73 2/20 1.00
JAK2 O60674 1/20 1.00

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
SCHEMBL12068009 0.79 PARP1 (0.66) PARP1AURKADAPK3PRKD3MAP4K4
SCHEMBL29957158 0.79 PARP1 (0.65) PARP1AURKADAPK3PRKD3MAP4K4
SCHEMBL526730 0.78 PARP1 (1.00) PARP1AURKADAPK3PRKD3MAP4K4
SCHEMBL1387233 0.78 PARP1 (0.64) PARP1AURKADAPK3PRKD3MAP4K4
SCHEMBL4076857 0.78 PARP1 (0.64) PARP1AURKADAPK3PRKD3MAP4K4
SCHEMBL5370073 0.78 PARP1 (1.00) PARP1AURKADAPK3PRKD3MAP4K4
SCHEMBL12747755 0.78 PARP1 (0.64) PARP1AURKADAPK3PRKD3MAP4K4
SCHEMBL13857872 0.78 PARP1 (0.64) PARP1AURKADAPK3PRKD3MAP4K4
SCHEMBL21895445 0.78 PARP1 (1.00) PARP1AURKADAPK3PRKD3MAP4K4
SCHEMBL16097896 0.78 PARP1 (0.64) PARP1AURKADAPK3PRKD3MAP4K4

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
CN-119490461-A Trifluoromethyl substituted quinazolinone compound, preparation method and application 平顶山学院 2025-02-21 CN disclosed
CN-115260164-B Preparation method, structural composition and application of novel 4 (3H) -quinazolinone analogue in antitumor drugs 杭州星鳌生物科技有限公司 2024-03-26 CN disclosed
WO-2023156386-A2 PHARMACEUTICAL COMPOUND Duke Street Bio Limited (GB) 2023-08-24 WO disclosed
WO-2022233253-A1 METHOD FOR PREPARING NEW 4(3H)-QUINAZOLINONE ANALOG, STRUCTURAL COMPOSITION THEREOF, AND USE THEREOF IN ANTITUMOR DRUGS 杭州星鳌生物科技有限公司 2022-11-10 WO disclosed
CN-115260164-A Preparation method and structural composition of novel 4 (3H) -quinazolinone analogue and application of analogue in antitumor drugs 杭州星鳌生物科技有限公司 2022-11-01 CN disclosed
CN-107337646-B Method for synthesizing quinazolinone derivative by using methanol as raw material 南京理工大学 2020-04-07 CN disclosed
CN-107337646-A A kind of method using methanol as Material synthesis Quinazol derivative 南京理工大学 2017-11-10 CN disclosed
EP-2367801-A1 POLAR QUINAZOLINES AS LIVER X RECEPTORS ( LXRS ) MODULATORS Wyeth LLC (US) 2011-09-28 EP disclosed
US-20100273816-A1 Quinazoline Compounds WYETH LLC 2010-10-28 US disclosed
US-20100184786-A1 Polar Quinazolines WYETH LLC (US) 2010-07-22 US disclosed
WO-2010059627-A1 POLAR QUINAZOLINES AS LIVER X RECEPTORS ( LXRS ) MODULATORS WYETH LLC (US) 2010-05-27 WO disclosed
EP-2142517-A2 QUINAZOLINE COMPOUNDS Wyeth (US) 2010-01-13 EP disclosed
WO-2009020683-A2 QUINAZOLINE COMPOUNDS WYETH (US) 2009-02-12 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 (2 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-20100184786-A1 Polar Quinazolines NR1H3, NR1H2, NR1I3 PARP1 3492/4885AURKA 3167/4885DAPK3 1944/4885
US-20100273816-A1 Quinazoline Compounds NR1H3, NR1H2, NR1I3 PARP1 3520/4885AURKA 3567/4885DAPK3 1743/4885

“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.