SCHEMBL2147574

SCHEMBL2147574

CC(=O)OC1CCc2cc(B3OC(C)(C)C(C)(C)O3)cnc21

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.35
GSK3A P49840 1/20 0.35
GSK3B P49841 1/20 0.35
PDGFRB P09619 2/20 0.34
KDR P35968 2/20 0.34
USP30 Q70CQ3 1/20 0.34
ROCK2 O75116 1/20 0.33
ALPL P05186 1/20 0.32
ROCK1 Q13464 1/20 0.31
USP2 O75604 1/20 0.31
CYP3A4 P08684 1/20 0.31
HIF1A Q16665 1/20 0.31
CHRM4 P08173 1/20 0.30
DRD2 P14416 1/20 0.30
HTR7 P34969 1/20 0.30
AAK1 Q2M2I8 1/20 0.30

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
SCHEMBL568592 0.75 FNTA (0.37) CHRM4DRD2HTR7
SCHEMBL30849367 0.75 KDM5A (0.36) USP2CYP3A4CHRM4DRD2HTR7
SCHEMBL3718804 0.75 CHRM4 (0.34) USP2CYP3A4CHRM4DRD2HTR7
SCHEMBL16798271 0.75 FNTA (0.39) CHRM4DRD2HTR7
SCHEMBL2147211 0.73 AAK1 (0.33) DGAT1USP30AAK1
SCHEMBL29857619 0.69 PDGFRB (0.37) PDGFRBKDRROCK2ALPL
SCHEMBL29857839 0.69 PDGFRB (0.37) PDGFRBKDRROCK2ALPL
SCHEMBL26916828 0.69 PDGFRB (0.37) PDGFRBKDRROCK2ALPL
SCHEMBL6643123 0.69 CHRM4 (0.36) CHRM4DRD2HTR7
SCHEMBL10286452 0.68 FNTA (0.38) CHRM4DRD2HTR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240287062-A1 NAPHTHYRIDONE COMPOUNDS FOR INHIBITION OF RAF KINASES AND/OR BCR-ABL TYROSINE KINASES ENLIVEN INC. 2024-08-29 US disclosed
WO-2022236319-A1 NAPHTHYRIDONE COMPOUNDS FOR INHIBITION OF RAF KINASES AND/OR BCR-ABL TYROSINE KINASES ENLIVEN THERAPEUTICS, INC. (US) 2022-11-10 WO disclosed
WO-2022236319-A1 NAPHTHYRIDONE COMPOUNDS FOR INHIBITION OF RAF KINASES AND/OR BCR-ABL TYROSINE KINASES ENLIVEN THERAPEUTICS, INC. (US) 2022-11-10 WO disclosed
US-9227971-B2 Pyrazolo[1,5-a]pyrimidine compounds as mTOR inhibitors MERCK SHARP & DOHME CORP. (US) 2016-01-05 US disclosed
US-9227971-B2 Pyrazolo[1,5-a]pyrimidine compounds as mTOR inhibitors MERCK SHARP & DOHME CORP. (US) 2016-01-05 US disclosed
US-9227971-B2 Pyrazolo[1,5-a]pyrimidine compounds as mTOR inhibitors MERCK SHARP & DOHME CORP. (US) 2016-01-05 US disclosed
US-20120322791-A1 PYRAZOLO[1,5-a]PYRIMIDINE COMPOUNDS AS mTOR INHIBITORS MERCK SHARP & DOHME LLC 2012-12-20 US disclosed
US-20120322791-A1 PYRAZOLO[1,5-a]PYRIMIDINE COMPOUNDS AS mTOR INHIBITORS MERCK SHARP & DOHME LLC 2012-12-20 US disclosed
US-20120322791-A1 PYRAZOLO[1,5-a]PYRIMIDINE COMPOUNDS AS mTOR INHIBITORS MERCK SHARP & DOHME LLC 2012-12-20 US disclosed
WO-2011090935-A1 PYRAZOLO[1,5-a]PYRIMIDINE COMPOUNDS AS mTOR INHIBITORS MERCK SHARP & DOHME CORP. (US) 2011-07-28 WO disclosed
WO-2011090935-A1 PYRAZOLO[1,5-a]PYRIMIDINE COMPOUNDS AS mTOR INHIBITORS MERCK SHARP & DOHME CORP. (US) 2011-07-28 WO 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 (2 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-20120322791-A1 PYRAZOLO[1,5-a]PYRIMIDINE COMPOUNDS AS mTOR INHIBITORS MTOR, RICTOR, RPS6KA5 DGAT1 4104/4885GSK3A 2547/4885GSK3B 2102/4885
US-20240287062-A1 NAPHTHYRIDONE COMPOUNDS FOR INHIBITION OF RAF KINASES AND/OR BCR-ABL TYROSINE KINASES BRAF, NRAS, ABL1 DGAT1 3697/4885GSK3A 289/4885GSK3B 271/4885

“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.