SCHEMBL25950806

SCHEMBL25950806

Cn1ccc2c(C(C)(C)C)cc(Cl)cc21

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CCR4 P51679 1/20 0.33
HSD11B1 P28845 1/20 0.31
SCN9A Q15858 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
PRKCI P41743 1/20 0.31
NQO2 P16083 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
SCHEMBL18651580 0.77 HSD11B1 (0.37) HSD11B1KDM4EALDH1A1MAPTRXFP1
SCHEMBL19499083 0.76 CYP1A2 (0.36) CCR4KDM4EALDH1A1MAPT
SCHEMBL18876115 0.76 KDM4E (0.36) HSD11B1KDM4EALDH1A1MAPTRXFP1
SCHEMBL31277200 0.74 HSD11B1 (0.33) HSD11B1KDM4EALDH1A1MAPTRXFP1
SCHEMBL2627063 0.72 CCR4 (0.48) CCR4HSD11B1KDM4EALDH1A1MAPT
SCHEMBL26200048 0.70 CCR4 (0.32) CCR4KDM4EALDH1A1MAPT
SCHEMBL14616909 0.69 CCR4 (0.37) CCR4HSD11B1KDM4EALDH1A1MAPT
SCHEMBL23709554 0.67 RHEB (0.56) KDM4EMAPTRXFP1
SCHEMBL16626053 0.67 POLB (0.38) CCR4HSD11B1KDM4EALDH1A1MAPT
SCHEMBL6050596 0.67 MAT2A (0.44) KDM4EALDH1A1

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-20230250082-A1 4-ETHYNYLPYRIDINE DERIVATIVES USEFUL AS GCN2 INHIBITORS IP2IPO INNOVATIONS LIMITED (GB) 2023-08-10 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-20230250082-A1 4-ETHYNYLPYRIDINE DERIVATIVES USEFUL AS GCN2 INHIBITORS EIF2AK4, GCN1, EIF5B CCR4 1626/4885HSD11B1 828/4885SCN9A 2534/4885

“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.