SCHEMBL26054136

SCHEMBL26054136

COCC1(C)CCN(S(C)(=O)=O)CC1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 10/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
TSHR P16473 2/20 0.38
NEK2 P51955 1/20 0.38
ALDH1A1 P00352 5/20 0.37
TP53 P04637 1/20 0.37
CYP2C9 P11712 4/20 0.37
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
CYP3A4 P08684 3/20 0.36
CYP1A2 P05177 2/20 0.36
HIF1A Q16665 2/20 0.36
USP2 O75604 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CYP2C19 P33261 4/20 0.35

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
SCHEMBL20300430 0.83 CYP2D6 (0.41) CYP2D6SMN1; SMN2TSHRNEK2ALDH1A1
SCHEMBL29004462 0.78 CYP2D6 (0.40) CYP2D6SMN1; SMN2TSHRNEK2ALDH1A1
SCHEMBL13819915 0.78 CYP2D6 (0.46) CYP2D6SMN1; SMN2TSHRNEK2ALDH1A1
SCHEMBL14417823 0.76 CYP2D6 (0.44) CYP2D6SMN1; SMN2TSHRNEK2ALDH1A1
SCHEMBL24597145 0.74 HSD11B1 (0.44) CYP2D6SMN1; SMN2TSHRNEK2ALDH1A1
SCHEMBL25613288 0.73 CYP2D6 (0.42) CYP2D6SMN1; SMN2TSHRNEK2ALDH1A1
SCHEMBL26053280 0.73 CYP2D6 (0.42) CYP2D6SMN1; SMN2TSHRNEK2ALDH1A1
SCHEMBL23564349 0.73 KDM1A (0.39) CYP2D6SMN1; SMN2TSHRNEK2ALDH1A1
SCHEMBL26053976 0.73 TP53 (0.32) TP53
SCHEMBL25708684 0.73 TP53 (0.32) TP53

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-20230265090-A1 QUINAZOLINE COMPOUND MEDSHINE DISCOVERY INC. (CN) 2023-08-24 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-20230265090-A1 QUINAZOLINE COMPOUND ABCG2, CYP3A7, ABL1 CYP2D6 55/4885SMN1; SMN2 2114/4885TSHR 3976/4885

“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.