SCHEMBL22848181

SCHEMBL22848181

COC(=O)CCSc1ccnc(C(C)C)c1N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSTP1 P09211 1/20 0.40
GSTM2 P28161 1/20 0.40
KMT2A Q03164 5/20 0.37
POLB P06746 2/20 0.37
PRNP P04156 2/20 0.37
RXFP1 Q9HBX9 2/20 0.37
CXCR1 P25024 1/20 0.36
CXCR2 P25025 1/20 0.36
ALDH1A1 P00352 4/20 0.36
MEN1 O00255 3/20 0.36
RAB9A P51151 1/20 0.36
FGB P02675 1/20 0.33
HSD17B10 Q99714 3/20 0.33
PTGS1 P23219 1/20 0.33
MAPT P10636 2/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
BRD4 O60885 1/20 0.32
TP53 P04637 1/20 0.32
GAA P10253 1/20 0.32

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
SCHEMBL31053008 0.84 MEN1 (0.32) GSTP1GSTM2KMT2AALDH1A1MEN1
SCHEMBL29238689 0.82 GSTP1 (0.38) GSTP1GSTM2KMT2APOLBPRNP
SCHEMBL24660012 0.77 CCNC (0.42) KMT2AALDH1A1HSD17B10MAPTLMNA
SCHEMBL21852192 0.77 GSTP1 (0.42) GSTP1GSTM2KMT2APOLBPRNP
SCHEMBL30660933 0.76 KMT2A (0.43) GSTP1GSTM2KMT2APOLBPRNP
SCHEMBL18320494 0.76 KMT2A (0.43) GSTP1GSTM2KMT2APOLBPRNP
SCHEMBL21855915 0.76 CXCR1 (0.42) GSTP1GSTM2KMT2APOLBPRNP
SCHEMBL29506185 0.76 CXCR1 (0.42) GSTP1GSTM2KMT2APOLBPRNP
SCHEMBL22848251 0.76 CCNB2 (0.39) KMT2APOLBPRNPRXFP1ALDH1A1
SCHEMBL21855732 0.74 GSTP1 (0.43) GSTP1GSTM2KMT2APOLBPRNP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114008037-B Heterocyclic compounds as KRAS G12C inhibitors 广东新契生物医药科技有限公司 2024-06-21 CN disclosed
US-20220153741-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF KRAS G12C GUANGDONG NEWOPP BIOPHARMACEUTICALS CO., LTD. (CN) 2022-05-19 US disclosed
CN-114008037-A Heterocyclic compounds as KRAS G12C inhibitors 广东新契生物医药科技有限公司 2022-02-01 CN disclosed
WO-2020259513-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF KRAS G12C GUANGDONG NEWOPP BIOPHARMACEUTICALS CO., LTD. (CN) 2020-12-30 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 (1 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-20220153741-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS GSTP1 2752/4885GSTM2 2997/4885KMT2A 1219/4885

“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.