SCHEMBL29486398

SCHEMBL29486398

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
SCHEMBL29486393 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
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

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-20220213100-A1 NITROGEN-CONTAINING HETEROCYCLIC DERIVATIVE REGULATOR, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF KRAS, NRAS, GNAQ DAO 4577/4885AXL 2148/4885NUDT1 609/4885
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

“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.