SCHEMBL24979196

SCHEMBL24979196

CC(C)c1cccn2c(C(C)(C)C)ncc12

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SSTR4 P31391 17/20 0.34
SSTR1 P30872 2/20 0.34
NR1I2 O75469 1/20 0.34
HSD11B1 P28845 1/20 0.34
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
GLA P06280 2/20 0.33
HPGD P15428 2/20 0.33
HSD17B10 Q99714 2/20 0.33
GAA P10253 1/20 0.33
SSTR2 P30874 1/20 0.32
SSTR3 P32745 1/20 0.32
SSTR5 P35346 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
CASP1 P29466 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL23132917 0.78 NR1I2 (0.33) SSTR4NR1I2HSD11B1KDM4EALDH1A1
SCHEMBL24377456 0.77 P2RX3 (0.35) NR1I2HSD11B1KDM4EALDH1A1GLA
SCHEMBL25735020 0.67 POLB (0.40) KDM4EALDH1A1HPGDHSD17B10GAA
SCHEMBL10220616 0.67 ALDH1A1 (0.50) SSTR4KDM4EALDH1A1GLAHPGD
SCHEMBL24058240 0.66 SSTR4 (0.32) SSTR4SSTR1
SCHEMBL16255896 0.66 SSTR4 (0.48) SSTR4SSTR1SSTR2SSTR3SSTR5
SCHEMBL21180242 0.66 HTR4 (0.42) SSTR4KDM4EALDH1A1CYP1A2CYP3A4
SCHEMBL17755134 0.65 SSTR4 (0.48) SSTR4SSTR1SSTR2SSTR3SSTR5
Hydrochloric Acid SCHEMBL25279075 0.65 SSTR4 (0.31) SSTR4SSTR1
SCHEMBL16255902 0.65 SSTR4 (0.49) SSTR4SSTR1KDM4EALDH1A1GLA

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-20230023023-A1 4-AMINOBUT-2-ENAMIDE DERIVATIVES AND SALTS THEREOF ASTEX THERAPEUTICS LIMITED (GB) 2023-01-26 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-20230023023-A1 4-AMINOBUT-2-ENAMIDE DERIVATIVES AND SALTS THEREOF KRAS, NRAS, HRAS SSTR4 3886/4885SSTR1 4425/4885NR1I2 3415/4885

“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.