SCHEMBL30835161

SCHEMBL30835161

CSc1nc2c(c(N3C[C@H]4CC[C@@H](C3)N4C(=O)OC(C)(C)C)n1)CCN(C(=O)OCc1ccccc1)C2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 7/20 0.41
SIGMAR1 Q99720 7/20 0.41
PARP1 P09874 1/20 0.40
GPR119 Q8TDV5 1/20 0.39
F2 P00734 1/20 0.39
F12 P00748 1/20 0.39
MTOR P42345 1/20 0.38
AGTR2 P50052 1/20 0.38
CHRM4 P08173 1/20 0.38
HTR1A P08908 1/20 0.38
CHRM5 P08912 1/20 0.38
ADRA2A P08913 1/20 0.38
ADRA2B P18089 1/20 0.38
HRH2 P25021 1/20 0.38
ADRA1D P25100 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
ADRA1A P35348 1/20 0.38
HRH1 P35367 1/20 0.38
ADRA1B P35368 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
SCHEMBL30565842 0.97 MTOR (0.40) TMEM97SIGMAR1PARP1GPR119F2
SCHEMBL25322135 0.89 TMEM97 (0.42) TMEM97SIGMAR1PARP1GPR119F2
SCHEMBL23409272 0.89 TMEM97 (0.42) TMEM97SIGMAR1PARP1GPR119F2
SCHEMBL19616489 0.87 TMEM97 (0.46) TMEM97SIGMAR1PARP1MTORPTGDR2
SCHEMBL30835182 0.86 TMEM97 (0.42) TMEM97SIGMAR1PARP1GPR119F2
SCHEMBL29003001 0.86 AGTR2 (0.41) TMEM97SIGMAR1PARP1GPR119F2
SCHEMBL30124161 0.86 AGTR2 (0.41) TMEM97SIGMAR1PARP1GPR119F2
SCHEMBL30421865 0.83 PARP1 (0.42) TMEM97SIGMAR1PARP1F2F12
SCHEMBL23409345 0.83 KRAS (0.38) TMEM97SIGMAR1PARP1GPR119F2
SCHEMBL23413617 0.83 GPR119 (0.41) TMEM97SIGMAR1PARP1GPR119MTOR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240300980-A1 HETEROCYCLIC COMPOUNDS AS KRAS INHIBITOR, AND PREPARATION THEREFOR AND USE THEREOF IN TREATMENT SHANGHAI KECHOW PHARMA, INC. (CN) 2024-09-12 US disclosed
CN-117813306-A Heterocyclic compounds as KRAS inhibitors, their preparation and therapeutic use 上海科州药物研发有限公司 2024-04-02 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 (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-20240300980-A1 HETEROCYCLIC COMPOUNDS AS KRAS INHIBITOR, AND PREPARATION THEREFOR AND USE THEREOF IN TREATMENT KRAS, NRAS, HRAS TMEM97 3639/4885SIGMAR1 4254/4885PARP1 1846/4885

“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.