SCHEMBL21361846

SCHEMBL21361846

CC(C)(CS)n1ccnc1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 8/20 0.47
CYP19A1 P11511 3/20 0.39
CYP17A1 P05093 2/20 0.39
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
QPCT Q16769 2/20 0.36
NFKB1 P19838 1/20 0.36
HSD17B10 Q99714 1/20 0.36
QPCTL Q9NXS2 1/20 0.36
MEN1 O00255 1/20 0.32
POLB P06746 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL21392728 0.82 TBXAS1 (0.50) TBXAS1CYP19A1CYP17A1CYP11B1CYP11B2
SCHEMBL4338960 0.80 TBXAS1 (0.49) TBXAS1CYP19A1CYP17A1CYP11B1CYP11B2
SCHEMBL28843269 0.78 TBXAS1 (0.47) TBXAS1CYP19A1CYP17A1CYP11B1CYP11B2
Bromide SCHEMBL28286964 0.78 TBXAS1 (0.47) TBXAS1CYP19A1CYP17A1CYP11B1CYP11B2
SCHEMBL26660791 0.78 TBXAS1 (0.51) TBXAS1CYP19A1CYP17A1CYP11B1CYP11B2
Hydrochloric Acid SCHEMBL28328253 0.78 TBXAS1 (0.50) TBXAS1CYP19A1CYP17A1CYP11B1CYP11B2
Iodide SCHEMBL27677678 0.78 TBXAS1 (0.47) TBXAS1CYP19A1CYP17A1CYP11B1CYP11B2
SCHEMBL4342783 0.77 TBXAS1 (0.54) TBXAS1CYP19A1CYP17A1CYP11B1CYP11B2
SCHEMBL22827209 0.75 TBXAS1 (0.45) TBXAS1CYP19A1CYP17A1CYP11B1CYP11B2
SCHEMBL13919194 0.75 TBXAS1 (0.45) TBXAS1CYP19A1CYP17A1CYP11B1CYP11B2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10894052-B2 Heterocyclic inhibitors of ATR kinase BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2021-01-19 US disclosed
US-10669261-B2 Heteroarylhydroxypyrimidinones as agonists of the APJ receptor Bristl-Myers Squibb Company (US) 2020-06-02 US disclosed
US-20190282584-A1 HETEROCYCLIC INHIBITORS OF ATR KINASE ARTIOS PHARMA LIMITED (GB) 2019-09-19 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 (3 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-10669261-B2 Heteroarylhydroxypyrimidinones as agonists of the APJ receptor APLNR, GPBAR1, AGTR1 TBXAS1 193/4885CYP19A1 1216/4885CYP17A1 848/4885
US-10894052-B2 Heterocyclic inhibitors of ATR kinase ATR, CHEK1, CHEK2 TBXAS1 1310/4885CYP19A1 2459/4885CYP17A1 3522/4885
US-20190282584-A1 HETEROCYCLIC INHIBITORS OF ATR KINASE ATR, CHEK1, CHEK2 TBXAS1 1310/4885CYP19A1 2459/4885CYP17A1 3522/4885

“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.