SCHEMBL13849296

SCHEMBL13849296

CN(C)CCNS(=O)(=O)C(C)(C)C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.56
TSHR P16473 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
RECQL P46063 1/20 0.41
PRMT3 O60678 1/20 0.39
CARM1 Q86X55 1/20 0.39
PRMT6 Q96LA8 1/20 0.39
PRMT1 Q99873 1/20 0.39
PRMT8 Q9NR22 1/20 0.39
GAA P10253 2/20 0.36
POLB P06746 1/20 0.35
PKM P14618 1/20 0.35
CA2 P00918 3/20 0.33
CA12 O43570 2/20 0.33
CA9 Q16790 2/20 0.33
PDK1 Q15118 1/20 0.33
PDK2 Q15119 1/20 0.33
PDK3 Q15120 1/20 0.33

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
SCHEMBL24187300 0.80 ALDH1A1 (0.54) ALDH1A1TSHRNPSR1CYP2C9CYP2C19
SCHEMBL13742976 0.78 SIGMAR1 (0.46) ALDH1A1
SCHEMBL17771188 0.76 EPHX1 (0.33) EPHX1
SCHEMBL8018138 0.76 ALDH1A1 (0.60) ALDH1A1TSHRNPSR1CYP2C9CYP2C19
SCHEMBL8404338 0.75 ALDH1A1 (0.31) ALDH1A1
SCHEMBL5169582 0.73 CA1 (0.55) POLBCA2CA12CA9EPHX1
SCHEMBL48345 0.73 ALDH1A1 (0.62) ALDH1A1TSHRNPSR1CYP2C9CYP2C19
SCHEMBL15609677 0.73 EPHX1 (0.39) CA2CA12EPHX1CA1
SCHEMBL28792968 0.72 CA2 (0.48) ALDH1A1TSHRNPSR1CA2CA1
SCHEMBL17147520 0.71 EPHX1 (0.38) EPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230373963-A1 3-[(1H-PYRAZOL-R-YL)OXY]PYRAZIN-2-AMINE COMPOUNDS AS HPK1 INHIBITOR AND USE THEREOF BEIGENE, LTD. (KY) 2023-11-23 US disclosed
US-20220135552-A1 PYRROLE DERIVATIVES AS PLK1 INHIBITORS SENTINEL ONCOLOGY LIMITED (GB) 2022-05-05 US disclosed
US-11208405-B2 Pyrrole derivatives as PLK1 inhibitors SENTINEL ONCOLOGY LIMITED (GB) 2021-12-28 US disclosed
US-20200247796-A1 PYRROLE DERIVATIVES AS PLK1 INHIBITORS SENTINEL ONCOLOGY LIMITED (GB) 2020-08-06 US disclosed
US-20090131436-A1 Pyrimidine Derivatives NOVARTIS AG (CH) 2009-05-21 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 (5 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-20230373963-A1 3-[(1H-PYRAZOL-R-YL)OXY]PYRAZIN-2-AMINE COMPOUNDS AS HPK1 INHIBITOR AND USE THEREOF HIPK1, HIPK3, HIPK2 ALDH1A1 3197/4885TSHR 4200/4885NPSR1 2469/4885
US-20200247796-A1 PYRROLE DERIVATIVES AS PLK1 INHIBITORS PLK1, CDK1, AURKC ALDH1A1 3956/4885TSHR 509/4885NPSR1 849/4885
US-20090131436-A1 Pyrimidine Derivatives DPYD, TYMP, TYMS ALDH1A1 731/4885TSHR 3470/4885NPSR1 3578/4885
US-20220135552-A1 PYRROLE DERIVATIVES AS PLK1 INHIBITORS PLK1, CDK1, AURKC ALDH1A1 3918/4885TSHR 542/4885NPSR1 864/4885
US-11208405-B2 Pyrrole derivatives as PLK1 inhibitors PLK1, CDK1, AURKC ALDH1A1 3956/4885TSHR 509/4885NPSR1 849/4885

“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.