SCHEMBL24979192

SCHEMBL24979192

CC(C)(C)c1cccn2c(C(C)(C)C)ccc12

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.35
ALDH1A1 P00352 3/20 0.34
TSHR P16473 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
MAPT P10636 2/20 0.34
SSTR4 P31391 1/20 0.33
GABRA1 P14867 1/20 0.31
GABRB2 P47870 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
SCHEMBL14963064 0.92 ALDH1A1 (0.34) CA2ALDH1A1TSHRTDP1MAPT
SCHEMBL14584042 0.74 ALDH1A1 (0.44) CA2ALDH1A1TSHRTDP1MAPT
SCHEMBL24197725 0.71 ALDH1A1 (0.33) CA2ALDH1A1MAPT
SCHEMBL13249596 0.70 CA2 (0.41) CA2ALDH1A1TSHRTDP1MAPT
SCHEMBL13249597 0.68 ALDH1A1 (0.37) CA2ALDH1A1MAPT
SCHEMBL13249600 0.67 ALDH1A1 (0.43) ALDH1A1TDP1MAPT
SCHEMBL25054987 0.66 CA2 (0.35) CA2ALDH1A1MAPT
SCHEMBL24126327 0.65 GABRA5 (0.34) GABRA1
SCHEMBL13431385 0.64 MAP4K4 (0.37) CA2ALDH1A1TSHRTDP1SSTR4
SCHEMBL22015336 0.63 SSTR4 (0.52) CA2SSTR4

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 CA2 1795/4885ALDH1A1 2807/4885TSHR 4626/4885

“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.