SCHEMBL25669809

SCHEMBL25669809

CCc1n[nH]c2c(C)c(C)ccc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.35
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
PDE3B Q13370 2/20 0.33
PDE3A Q14432 2/20 0.33
HTT P42858 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MAPT P10636 2/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
PRMT5 O14744 1/20 0.32
WDR77 Q9BQA1 1/20 0.32
STING1 Q86WV6 1/20 0.32
ADORA2A P29274 1/20 0.32
ADORA2B P29275 1/20 0.32
DAO P14920 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
SCHEMBL13122747 0.82 MAPT (0.42) PDE3BPDE3AMAPTPRMT5WDR77
SCHEMBL13122255 0.82 DAO (0.35) PDE3BPDE3AADORA2AADORA2BDAO
SCHEMBL13226859 0.79 AHR (0.46) POLBKDM4EALDH1A1HTTSMN1; SMN2
SCHEMBL8404435 0.76 ADORA2A (0.47) POLBKDM4EALDH1A1PDE3BPDE3A
SCHEMBL20434719 0.75 CHEK1 (0.46) POLBKDM4EMAPTKMT2AADORA2A
SCHEMBL25667856 0.73 ADORA2A (0.33) POLBKDM4EALDH1A1HTTSMN1; SMN2
SCHEMBL25667714 0.73 ADORA2A (0.37) POLBKDM4EALDH1A1HTTSMN1; SMN2
SCHEMBL25667807 0.73 ADORA2A (0.33) POLBKDM4EALDH1A1HTTSMN1; SMN2
SCHEMBL25677897 0.73 ADORA2A (0.33) POLBKDM4EALDH1A1HTTSMN1; SMN2
SCHEMBL25669560 0.73 ADORA2A (0.33) POLBKDM4EALDH1A1HTTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230203018-A1 COVALENT INHIBITORS OF KRAS ARAXES PHARMA LLC (US) 2023-06-29 US 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-20230203018-A1 COVALENT INHIBITORS OF KRAS KRAS, NRAS, HRAS POLB 653/4885KDM4E 2066/4885ALDH1A1 1640/4885

“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.