SCHEMBL25619953

SCHEMBL25619953

CCCCOC(=O)c1cc(-n2cnc(C3CC3)c2)c(C)cn1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAP3K5 Q99683 18/20 0.45
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
MAPT P10636 1/20 0.40
CYP2C9 P11712 1/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
CYP2C19 P33261 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ESR1 P03372 1/20 0.37
AKT1 P31749 1/20 0.36

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
SCHEMBL15811799 0.89 MAP3K5 (0.45) MAP3K5KDM4EALDH1A1CYP1A2CYP3A4
SCHEMBL30433332 0.89 MAP3K5 (0.45) MAP3K5KDM4EALDH1A1CYP1A2CYP3A4
SCHEMBL21461179 0.87 MAP3K5 (0.45) MAP3K5KDM4EALDH1A1CYP1A2CYP3A4
SCHEMBL20557512 0.86 MAP3K5 (0.47) MAP3K5KDM4EALDH1A1CYP1A2CYP3A4
SCHEMBL30433017 0.86 MAP3K5 (0.47) MAP3K5KDM4EALDH1A1CYP1A2CYP3A4
SCHEMBL21461018 0.84 MAP3K5 (0.49) MAP3K5AKT1
SCHEMBL21461037 0.84 MAP3K5 (0.49) MAP3K5AKT1
SCHEMBL31249002 0.83 MAP3K5 (0.49) MAP3K5AKT1
SCHEMBL31249019 0.83 MAP3K5 (0.49) MAP3K5AKT1
SCHEMBL17880577 0.82 MAP3K5 (0.55) MAP3K5

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-20230174515-A1 APOPTOSIS SIGNAL-REGULATING KINASE 1 INHIBITORS AND METHODS OF USE THEREOF ENANTA PHARM INC (US) 2023-06-08 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-20230174515-A1 APOPTOSIS SIGNAL-REGULATING KINASE 1 INHIBITORS AND METHODS OF USE THEREOF BAD, CASP1, BAX MAP3K5 23/4885KDM4E 2139/4885ALDH1A1 1882/4885

“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.