SCHEMBL14905500

SCHEMBL14905500

COc1cc(C(C)=O)c(NC(=O)OC(C)(C)C)cn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATR Q13535 1/20 0.40
NNMT P40261 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
MEN1 O00255 1/20 0.36
PABPC1 P11940 1/20 0.36
KMT2A Q03164 1/20 0.36
AAK1 Q2M2I8 1/20 0.36
CYP17A1 P05093 2/20 0.36
NAMPT P43490 1/20 0.36
METAP1 P53582 1/20 0.36
CYP1A2 P05177 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
BRD9 Q9H8M2 1/20 0.34
PIK3CD O00329 1/20 0.34
ABL1 P00519 1/20 0.34
EGFR P00533 1/20 0.34
KDR P35968 1/20 0.34
PIK3CA P42336 1/20 0.34
PIK3CG P48736 1/20 0.34
BACE1 P56817 1/20 0.34

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
SCHEMBL29764732 1.00 ATR (0.40) ATRNNMTRXFP1MEN1PABPC1
SCHEMBL20770870 0.89 ATR (0.48) ATRNNMTRXFP1MEN1PABPC1
SCHEMBL6217868 0.89 KMT2A (0.40) ATRNNMTRXFP1MEN1PABPC1
SCHEMBL29589580 0.89 KMT2A (0.40) ATRNNMTRXFP1MEN1PABPC1
SCHEMBL29713519 0.83 NNMT (0.47) ATRNNMTMEN1PABPC1KMT2A
SCHEMBL7681674 0.83 NNMT (0.47) ATRNNMTMEN1PABPC1KMT2A
SCHEMBL14905357 0.83 ATR (0.44) ATRRXFP1AAK1CYP17A1NAMPT
SCHEMBL20095986 0.82 MEN1 (0.38) ATRNNMTMEN1PABPC1KMT2A
SCHEMBL12513167 0.82 ATR (0.38) ATRNNMTRXFP1MEN1PABPC1
SCHEMBL28391719 0.82 NNMT (0.39) ATRNNMTMEN1PABPC1KMT2A

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230151003-A1 COMPOUNDS AND METHODS OF USE EXELIXIS INC (US) 2023-05-18 US disclosed
US-20230151003-A1 COMPOUNDS AND METHODS OF USE EXELIXIS INC (US) 2023-05-18 US disclosed
CN-115605478-A Compounds and methods of use 埃克塞里艾克西斯公司(US) 2023-01-13 CN disclosed
CN-114787144-A Pyridone compounds and methods for modulating protein kinases 埃克塞里艾克西斯公司 2022-07-22 CN disclosed
EP-2861584-B1 Pyridopyrazine and naphthyridine derivatives for the treatment of cancer ASTEX THERAPEUTICS LTD (GB) 2020-02-19 EP disclosed
US-9757364-B2 Naphthyridine derivative compounds ASTEX THERAPEUTICS LTD (GB) 2017-09-12 US disclosed
US-9757364-B2 Naphthyridine derivative compounds ASTEX THERAPEUTICS LTD (GB) 2017-09-12 US disclosed
US-9737544-B2 Compounds ASTEX THERAPEUTICS LIMITED (GB) 2017-08-22 US disclosed
US-9737544-B2 Compounds ASTEX THERAPEUTICS LIMITED (GB) 2017-08-22 US disclosed
US-20170105978-A1 NEW COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2017-04-20 US disclosed
US-20160108034-A1 NAPHTHYRIDINE DERIVATIVE COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2016-04-21 US disclosed
US-9309241-B2 Naphthyridine derivative compounds ASTEX THERAPEUTICS LTD (GB) 2016-04-12 US disclosed
US-9309241-B2 Naphthyridine derivative compounds ASTEX THERAPEUTICS LTD (GB) 2016-04-12 US disclosed
US-9303030-B2 Compounds ASTEX THERAPEUTICS LIMITED (GB) 2016-04-05 US disclosed
US-9303030-B2 Compounds ASTEX THERAPEUTICS LIMITED (GB) 2016-04-05 US disclosed
US-20150239883-A1 NEW COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2015-08-27 US disclosed
US-20150239883-A1 NEW COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2015-08-27 US disclosed
US-20150057293-A1 NEW COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2015-02-26 US disclosed
US-20150057293-A1 NEW COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2015-02-26 US disclosed
WO-2013061077-A1 NEW COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2013-05-02 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 (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-20150057293-A1 NEW COMPOUNDS NQO1, NTPCR, NDC1 ATR 3650/4885NNMT 271/4885RXFP1 4834/4885
US-20170105978-A1 NEW COMPOUNDS NQO1, NTPCR, NDC1 ATR 3650/4885NNMT 271/4885RXFP1 4834/4885
US-20160108034-A1 NAPHTHYRIDINE DERIVATIVE COMPOUNDS NQO1, NDC1, NTPCR ATR 3257/4885NNMT 107/4885RXFP1 4869/4885
US-20230151003-A1 COMPOUNDS AND METHODS OF USE PRKACB, PRKACA, PRKX ATR 752/4885NNMT 464/4885RXFP1 4581/4885
US-20150239883-A1 NEW COMPOUNDS NTPCR, MT-ND5, NQO1 ATR 3372/4885NNMT 294/4885RXFP1 4655/4885

“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.