SCHEMBL27019753

SCHEMBL27019753

CC(C)(C)c1cn(C(C)(C)O)nn1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GABRA2 P47869 1/20 0.37
GABRB2 P47870 1/20 0.37
AR P10275 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 1/20 0.34
DPP4 P27487 1/20 0.33
HRH4 Q9H3N8 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
KDM4E B2RXH2 1/20 0.32
GRN P28799 1/20 0.32
SORT1 Q99523 1/20 0.32
CA12 O43570 1/20 0.31
CA9 Q16790 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
SCHEMBL10089709 0.82 GABRA2 (0.42) GABRA2GABRB2ARDPP4HRH4
SCHEMBL22030529 0.78 GABRA2 (0.37) GABRA2GABRB2CYP1A2CYP2C19DPP4
SCHEMBL18812323 0.78 GABRA2 (0.37) GABRA2GABRB2DPP4HRH4HRH3
SCHEMBL23979222 0.77 GABRA2 (0.36) GABRA2GABRB2DPP4HRH4HRH3
SCHEMBL18367678 0.76 KDM4E (0.36) GABRA2GABRB2CYP1A2CYP2C19DPP4
SCHEMBL22380834 0.75 GABRA2 (0.35) GABRA2GABRB2DPP4HRH4HRH3
SCHEMBL18077443 0.75 GABRA2 (0.35) GABRA2GABRB2DPP4HRH4HRH3
SCHEMBL18367556 0.75 GABRA2 (0.39) GABRA2GABRB2ARDPP4HRH4
SCHEMBL18623676 0.74 AR (0.49) GABRA2GABRB2ARCYP1A2CYP2C19
SCHEMBL21135745 0.74 DPP4 (0.37) GABRA2GABRB2DPP4HRH4HRH3

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-20240018110-A1 RADIOLABELED COMPOUNDS TARGETING THE PROSTATE-SPECIFIC MEMBRANE ANTIGEN ALPHA-9 ONCOLOGY INC. (CA) 2024-01-18 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-20240018110-A1 RADIOLABELED COMPOUNDS TARGETING THE PROSTATE-SPECIFIC MEMBRANE ANTIGEN KLK3, FOLH1, TMEM14C GABRA2 1471/4885GABRB2 1542/4885AR 22/4885

“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.