SCHEMBL526730

SCHEMBL526730

O=c1[nH]cnc2c(F)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 1/20 0.64
DAPK3 O43293 1/20 0.64
JAK2 O60674 1/20 0.64
PRKD3 O94806 1/20 0.64
MAP4K4 O95819 1/20 0.64
PAK4 O96013 1/20 0.64
ABL1 P00519 1/20 0.64
CSF1R P07333 1/20 0.64
RET P07949 1/20 0.64
IGF1R P08069 1/20 0.64
MET P08581 1/20 0.64
PDGFRB P09619 1/20 0.64
PIM1 P11309 1/20 0.64
FGFR1 P11362 1/20 0.64
PDGFRA P16234 1/20 0.64
PRKACA P17612 1/20 0.64
FLT1 P17948 1/20 0.64
LTK P29376 1/20 0.64
GRK5 P34947 1/20 0.64

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) PARP1AURKADAPK3JAK2PRKD3
SCHEMBL16097896 0.78 PARP1 (0.64) PARP1AURKADAPK3JAK2PRKD3
SCHEMBL1387233 0.78 PARP1 (0.64) PARP1AURKADAPK3JAK2PRKD3
SCHEMBL29443212 0.78 PARP1 (1.00) PARP1AURKADAPK3JAK2PRKD3
SCHEMBL5370073 0.78 PARP1 (1.00) PARP1AURKADAPK3JAK2PRKD3
SCHEMBL2447579 0.78 PARP1 (1.00) PARP1AURKADAPK3JAK2PRKD3
SCHEMBL12747755 0.78 PARP1 (0.64) PARP1AURKADAPK3JAK2PRKD3
SCHEMBL13857872 0.78 PARP1 (0.64) PARP1AURKADAPK3JAK2PRKD3
SCHEMBL21895445 0.78 PARP1 (1.00) PARP1AURKADAPK3JAK2PRKD3
SCHEMBL12068152 0.78 PARP1 (0.64) PARP1AURKADAPK3JAK2PRKD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118996447-A Phosphine-oxide substituted quinoxaline quinazolinone compound, preparation method and application thereof 南阳师范学院 2024-11-22 CN claimed
EP-3154962-A2 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS Gilead Sciences, Inc. (US) 2017-04-19 EP claimed
WO-2015191754-A2 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS GILEAD SCIENCES, INC. (US) 2015-12-17 WO claimed
WO-2025077770-A1 FUSED RING COMPOUND AND USE THEREOF IN KRAS INHIBITOR 成都海博为药业有限公司 2025-04-17 WO disclosed
EP-4305037-B1 KRAS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2025-02-26 EP disclosed
CN-118996447-A Phosphine-oxide substituted quinoxaline quinazolinone compound, preparation method and application thereof 南阳师范学院 2024-11-22 CN disclosed
US-20240217982-A1 KRAS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2024-07-04 US 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
EP-4305037-A1 KRAS INHIBITORS Bristol-Myers Squibb Company (US) 2024-01-17 EP 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
WO-2022192790-A1 KRAS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2022-09-15 WO 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
US-20190345146-A1 NITROGEN CONTAINING BICYCLIC DERIVATIVES FOR TREATING PAIN AND PAIN RELATED CONDITIONS ESTEVE PHARMACEUTICALS, S.A. (ES) 2019-11-14 US disclosed
EP-3339307-A1 NITROGEN CONTAINING BICYCLIC DERIVATIVES FOR TREATING PAIN AND PAIN RELATED CONDITIONS Laboratorios del Dr. Esteve, S.A. (ES) 2018-06-27 EP 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-3154962-A2 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS Gilead Sciences, Inc. (US) 2017-04-19 EP disclosed
WO-2015191754-A2 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS GILEAD SCIENCES, INC. (US) 2015-12-17 WO disclosed
WO-2012014109-A1 HETEROCYCLIC SULFONAMIDES AS INHIBITORS OF TRANSFER RNA SYNTHETASE FOR USE AS ANTIBACTERIAL AGENTS RANBAXY LABORATORIES LIMITED (IN) 2012-02-02 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-20240217982-A1 KRAS INHIBITORS KRAS, NRAS, HRAS PARP1 404/4885AURKA 685/4885DAPK3 345/4885
US-20190345146-A1 NITROGEN CONTAINING BICYCLIC DERIVATIVES FOR TREATING PAIN AND PAIN RELATED CONDITIONS CACNA1B, CACNA1G, CACNA1D PARP1 2338/4885AURKA 4157/4885DAPK3 2403/4885

“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.