SCHEMBL25567640

SCHEMBL25567640

Cc1cc(Oc2cc(C#N)c(Cc3cc(Oc4cc(C#N)ccc4-c4ncc(CCN)cn4)cc(N4CCOCC4)n3)cc2-c2ncc(CCNC(=O)OC(C)(C)C)cn2)cc(N2CCOCC2)n1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 1/20 0.37
CCNC P24863 3/20 0.34
CDK8 P49336 3/20 0.34
RAF1 P04049 3/20 0.32
BRAF P15056 3/20 0.32
EGLN1 Q9GZT9 3/20 0.32
PDCD1 Q15116 1/20 0.32
CD274 Q9NZQ7 1/20 0.32
HPGD P15428 1/20 0.31
RET P07949 2/20 0.31
ERG P11308 3/20 0.31
PRKAA2 P54646 2/20 0.31
GPBAR1 Q8TDU6 2/20 0.31
CYP3A4 P08684 2/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL30257455 0.89 AKT1 (0.43) AKT1CCNCCDK8RAF1BRAF
SCHEMBL25058669 0.89 AKT1 (0.43) AKT1CCNCCDK8RAF1BRAF
SCHEMBL25568289 0.87 AKT1 (0.37) AKT1CCNCCDK8RAF1BRAF
SCHEMBL30256596 0.81 LMNA (0.42) AKT1ALDH1A1
SCHEMBL23949247 0.81 LMNA (0.42) AKT1ALDH1A1
SCHEMBL23949225 0.79 AKT1 (0.44) AKT1CCNCCDK8RAF1BRAF
SCHEMBL25555360 0.76 PIK3CA (0.42) AKT1HPGDALDH1A1
SCHEMBL25057826 0.76 LMNA (0.43) AKT1EGLN1ALDH1A1
SCHEMBL30353082 0.76 LMNA (0.43) AKT1EGLN1ALDH1A1
SCHEMBL30353124 0.76 ALDH1A1 (0.41) AKT1HPGDERGGPBAR1MEN1

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-20230167073-A1 ARYL OR HETEROARYL DERIVATIVE TEIJIN PHARMA LIMITED (JP) 2023-06-01 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-20230167073-A1 ARYL OR HETEROARYL DERIVATIVE ARRB1, NR3C2, TRPC6 AKT1 1144/4885CCNC 2179/4885CDK8 3520/4885

“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.