SCHEMBL29414802

SCHEMBL29414802

CC(C)n1c(=O)[nH]c2ccc(Br)cc21

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PGR P06401 12/20 0.60
POLB P06746 1/20 0.60
MAOB P27338 1/20 0.52
OPRM1 P35372 1/20 0.48
B3GNT2 Q9NY97 3/20 0.46
AKT2 P31751 1/20 0.45
CLK2 P49760 1/20 0.45
DYRK1A Q13627 1/20 0.45
CLK4 Q9HAZ1 1/20 0.45

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
SCHEMBL20987129 1.00 PGR (0.60) PGRPOLBMAOBOPRM1B3GNT2
SCHEMBL19410704 0.82 OPRM1 (0.51) PGRPOLBMAOBOPRM1B3GNT2
SCHEMBL17807767 0.81 MAOB (0.68) PGRPOLBMAOBB3GNT2
SCHEMBL2975327 0.81 POLB (0.62) PGRPOLBMAOBB3GNT2
SCHEMBL2968866 0.80 PGR (0.72) PGRPOLBMAOBB3GNT2
SCHEMBL2970468 0.80 PGR (0.78) PGRPOLBMAOBB3GNT2
SCHEMBL29464129 0.80 PGR (0.78) PGRPOLBMAOBB3GNT2
SCHEMBL30819377 0.79 ALDH1A1 (0.46) PGRPOLBOPRM1
SCHEMBL22155643 0.79 PGR (0.58) PGRPOLBMAOBB3GNT2
SCHEMBL22152166 0.78 PGR (0.57) PGRPOLBMAOBB3GNT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-122036699-A THR-beta modulators and methods of use thereof 阿利戈斯治疗公司 2026-05-15 CN disclosed
CN-113382991-B Aminopyrimidines useful for inhibiting protein tyrosine kinase activity 深圳市塔吉瑞生物医药有限公司 2022-12-27 CN disclosed
EP-3965884-A1 MODULATORS OF THR-BETA AND METHODS OF USE THEREOF Aligos Therapeutics, Inc. (US) 2022-03-16 EP disclosed
US-20220064146-A1 KINASE INHIBITOR COMPOUNDS AND COMPOSITIONS AND METHODS OF USE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2022-03-03 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-20220064146-A1 KINASE INHIBITOR COMPOUNDS AND COMPOSITIONS AND METHODS OF USE CSNK1A1, MAP3K20, CSNK1G3 PGR 1927/4885POLB 2084/4885MAOB 1387/4885

“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.