SCHEMBL29486393

SCHEMBL29486393

O=c1ncc2cccnc2[nH]1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DAO P14920 2/20 0.56
AXL P30530 1/20 0.44
NUDT1 P36639 1/20 0.44
AURKA O14965 1/20 0.43
PARP1 P09874 1/20 0.43
RIPK1 Q13546 10/20 0.41
FEN1 P39748 1/20 0.39
CCNB2 O95067 1/20 0.38
CDK1 P06493 1/20 0.38
CCNB1 P14635 1/20 0.38
CCNB3 Q8WWL7 1/20 0.38

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
SCHEMBL747250 1.00 DAO (0.56) DAOAXLNUDT1AURKAPARP1
SCHEMBL29486398 1.00 DAO (0.56) DAOAXLNUDT1AURKAPARP1
Trifluoroacetic Acid SCHEMBL29713497 0.86 DAO (0.48) DAORIPK1
SCHEMBL5794083 0.76 DAO (0.47) DAOAXLNUDT1RIPK1CCNB2
SCHEMBL4429036 0.74 MAPT (0.50)
SCHEMBL29498319 0.73 DAO (0.53) DAOAXLNUDT1AURKAPARP1
SCHEMBL126973 0.73 DAO (0.53) DAOAXLNUDT1AURKAPARP1
SCHEMBL491810 0.73 PARP1 (0.42) NUDT1AURKAPARP1
SCHEMBL5413200 0.73 PARP1 (0.42) NUDT1AURKAPARP1
Hydrochloric Acid SCHEMBL7181738 0.72 DAO (0.51) DAOAXLNUDT1AURKAPARP1

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 73 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119177216-A KRAS G12C inhibitor drug-resistant human pancreatic cancer cell, construction method and application thereof 中山大学 2024-12-24 CN claimed
WO-2024175999-A2 BENZENESULFONAMIDE DERIVATIVES AND USES THEREOF DUNAD THERAPEUTICS LTD. (GB) 2024-08-29 WO claimed
CN-122036626-A Pyrimidine-2 (1H) -ketone derivative, pharmaceutical composition and application thereof 上海青润医药科技有限公司 2026-05-15 CN disclosed
EP-4709853-A1 METHODS OF PREVENTING ON-TARGET GENOTOXICITY INDUCED BY NUCLEASES Institut National de la Santé et de la Recherche Médicale (FR) 2026-03-18 EP disclosed
US-12503467-B2 2-oxoquinazoline derivatives as methionine adenosyltransferase 2A inhibitors IDEAYA BIOSCIENCES, INC. (US) 2025-12-23 US disclosed
US-20250381243-A1 HETEROCYCLES AND USES THEREOF KUMQUAT BIOSCIENCES INC (US) 2025-12-18 US disclosed
US-20250381187-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME AMGEN INC. (US) 2025-12-18 US disclosed
US-12497396-B2 Nitrogen-containing heterocyclic derivatives, method therefor and application therefor as inhibitors of KRAS G12C for the treatment of cancers SHANGHAI HANSOH BIOMEDICAL CO., LTD. (CN) 2025-12-16 US disclosed
WO-2025242031-A1 USE OF COMBINATION OF PYRIDO[2,3-D]PYRIMIDIN-2(1H)-ONE DERIVATIVE IN PREVENTING OR TREATING TUMOR DISEASE 上海翰森生物医药科技有限公司 2025-11-27 WO disclosed
WO-2025242031-A1 USE OF COMBINATION OF PYRIDO[2,3-D]PYRIMIDIN-2(1H)-ONE DERIVATIVE IN PREVENTING OR TREATING TUMOR DISEASE 上海翰森生物医药科技有限公司 2025-11-27 WO disclosed
EP-4638457-A1 HETEROCYCLES AND USES THEREOF Kumquat Biosciences Inc. (US) 2025-10-29 EP disclosed
EP-4041775-A1 COMBINATION THERAPY FOR CANCERS WITH KRAS MUTATION Cothera Bioscience, Inc. (KY) 2022-08-17 EP disclosed
US-20220213100-A1 NITROGEN-CONTAINING HETEROCYCLIC DERIVATIVE REGULATOR, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF SHANGHAI HANSOH BIOMEDICAL CO., LTD. (CN) 2022-07-07 US disclosed
WO-2022121839-A1 PYRIDO[2,3-D]PYRIMIDIN-2(1H)-ONE DERIVATIVE, AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 上海和誉生物医药科技有限公司 2022-06-16 WO disclosed
WO-2022111521-A1 AROMATIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF 杭州多域生物技术有限公司 2022-06-02 WO disclosed
WO-2022106897-A2 METHODS AND COMPOSITION FOR KRAS MODIFICATIONS 2692372 ONTARIO, INC. (CA) 2022-05-27 WO disclosed
WO-2022076917-A1 MODULATORS OF CELL PROLIFERATION AND USES THEREOF KUMQUAT BIOSCIENCES INC. (US) 2022-04-14 WO disclosed
US-20220106276-A1 2-OXOQUINAZOLINE DERIVATIVES AS METHIONINE ADENOSYLTRANSFERASE 2A INHIBITORS IDEAYA BIOSCIENCES, INC. 2022-04-07 US disclosed
EP-3978490-A1 NITROGEN-CONTAINING HETEROCYCLIC DERIVATIVE REGULATOR, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF Shanghai Hansoh Biomedical Co., Ltd. (CN) 2022-04-06 EP disclosed
CN-114269735-A Dihydro or tetrahydro quinazoline compound and intermediate, preparation method and application thereof 南京创济生物医药有限公司 2022-04-01 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 (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-20220213100-A1 NITROGEN-CONTAINING HETEROCYCLIC DERIVATIVE REGULATOR, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF KRAS, NRAS, GNAQ DAO 4577/4885AXL 2148/4885NUDT1 609/4885
US-20250381243-A1 HETEROCYCLES AND USES THEREOF TP53, KRAS, HRAS DAO 3985/4885AXL 635/4885NUDT1 1294/4885
US-20250381187-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME KRAS, NRAS, HRAS DAO 3983/4885AXL 3344/4885NUDT1 1635/4885
US-20220106276-A1 2-OXOQUINAZOLINE DERIVATIVES AS METHIONINE ADENOSYLTRANSFERASE 2A INHIBITORS MAT2B, MAT2A, MAT1A DAO 1164/4885AXL 4213/4885NUDT1 15/4885
US-12497396-B2 Nitrogen-containing heterocyclic derivatives, method therefor and application therefor as inhibitors of KRAS G12C for the treatment of cancers KRAS, NRAS, GNAQ DAO 4587/4885AXL 2727/4885NUDT1 422/4885
US-12503467-B2 2-oxoquinazoline derivatives as methionine adenosyltransferase 2A inhibitors MAT2B, MAT2A, MAT1A DAO 1164/4885AXL 4213/4885NUDT1 15/4885

“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.