SCHEMBL823332

SCHEMBL823332

Nc1ncccc1N1CCOCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
DHFR P00374 1/20 0.47
CYP1A2 P05177 2/20 0.45
CYP2C9 P11712 2/20 0.45
NCF1 P14598 1/20 0.45
GAA P10253 4/20 0.45
POLB P06746 3/20 0.45
MAPT P10636 2/20 0.45
MEN1 O00255 1/20 0.45
THRB P10828 1/20 0.45
RECQL P46063 1/20 0.45
BLM P54132 1/20 0.45
KMT2A Q03164 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
KDM4E B2RXH2 2/20 0.45
LGMN Q99538 1/20 0.45
PIK3CD O00329 4/20 0.44
METAP1 P53582 1/20 0.43
SLC40A1 Q9NP59 1/20 0.43

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
SCHEMBL16672309 0.85 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2DHFRCYP1A2CYP2C9
SCHEMBL19066141 0.85 MAP4K4 (0.46) ALDH1A1SMN1; SMN2CYP1A2CYP2C9L3MBTL1
SCHEMBL30443783 0.83 KEAP1 (0.52) ALDH1A1SMN1; SMN2CYP1A2CYP2C9NCF1
SCHEMBL31563732 0.83 KEAP1 (0.47) ALDH1A1SMN1; SMN2CYP1A2CYP2C9GAA
SCHEMBL29118465 0.83 KEAP1 (0.52) ALDH1A1SMN1; SMN2CYP1A2CYP2C9NCF1
SCHEMBL29086204 0.83 GAA (0.55) ALDH1A1SMN1; SMN2DHFRCYP1A2CYP2C9
SCHEMBL18284734 0.83 MAP4K4 (0.44) ALDH1A1SMN1; SMN2DHFRCYP1A2CYP2C9
SCHEMBL5067333 0.81 KEAP1 (0.55) ALDH1A1CYP1A2CYP2C9NCF1GAA
SCHEMBL2253999 0.81 GAA (0.45) DHFRGAAMEN1KMT2A
SCHEMBL17506189 0.80 NOS3 (0.39) DHFRGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240374590-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER COILED THERAPEUTICS, INC. 2024-11-14 US disclosed
CN-114835683-A Quinazoline-4, 6-diamine compound containing morpholinyl aromatic heterocycle and preparation method thereof 江苏食品药品职业技术学院 2022-08-02 CN disclosed
US-20210038607-A1 OXADIAZOLYLTHIOPHENE DERIVATIVES USEFUL AS HISTONE DEACETYLASE INHIBITORS KARUS THERAPEUTICS LIMITED (GB) 2021-02-11 US disclosed
US-20210038607-A1 OXADIAZOLYLTHIOPHENE DERIVATIVES USEFUL AS HISTONE DEACETYLASE INHIBITORS KARUS THERAPEUTICS LIMITED (GB) 2021-02-11 US disclosed
EP-3759106-A1 OXADIAZOLYLTHIOPHENE DERIVATIVES USEFUL AS HISTONE DEACETYLASE INHIBITORS Karus Therapeutics Ltd (GB) 2021-01-06 EP disclosed
CN-112004814-A Oxadiazolyl thiophene derivatives useful as inhibitors of histone deacetylase 卡鲁斯治疗有限公司 2020-11-27 CN disclosed
US-20190135836-A1 HETEROCYCLIC KINASE INHIBITORS ABBVIE INC (US) 2019-05-09 US disclosed
US-10280184-B2 Heterocyclic kinase inhibitors ABBVIE INC. (US) 2019-05-07 US disclosed
US-20180186801-A1 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2018-07-05 US disclosed
US-20180186801-A1 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2018-07-05 US disclosed
CN-101880280-A Bicyclic pyrimidinones and uses thereof SHANGHAI INST ORGANIC CHEM 2010-11-10 CN disclosed
US-20100168063-A1 BICYCLIC PYRIMIDINONES AND USES THEREOF AVEXA LIMITED (AU) 2010-07-01 US disclosed
US-20100168063-A1 BICYCLIC PYRIMIDINONES AND USES THEREOF AVEXA LIMITED (AU) 2010-07-01 US disclosed
US-20100168063-A1 BICYCLIC PYRIMIDINONES AND USES THEREOF AVEXA LIMITED (AU) 2010-07-01 US disclosed
CN-101627019-A Bicyclic pyrimidinones and uses thereof AVEXA LTD 2010-01-13 CN disclosed
EP-2114903-A1 BICYCLIC PYRIMIDINONES AND USES THEREOF Avexa Limited (AU) 2009-11-11 EP disclosed
WO-2008077188-A1 BICYCLIC PYRIMIDINONES AND USES THEREOF AVEXA LIMITED (AU) 2008-07-03 WO disclosed
WO-2008077188-A1 BICYCLIC PYRIMIDINONES AND USES THEREOF AVEXA LIMITED (AU) 2008-07-03 WO disclosed
EP-1893607-A2 INHIBITORS OF CHECKPOINT KINASES Merck & Co., Inc. (US) 2008-03-05 EP disclosed
WO-2006135604-A2 INHIBITORS OF CHECKPOINT KINASES MERCK & CO., INC. (US) 2006-12-21 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 (6 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-20100168063-A1 BICYCLIC PYRIMIDINONES AND USES THEREOF TPMT, TYMP, DPYD ALDH1A1 337/4885SMN1; SMN2 1064/4885DHFR 21/4885
US-10280184-B2 Heterocyclic kinase inhibitors MAP3K1, MAP3K20, MAP3K19 ALDH1A1 1550/4885SMN1; SMN2 3825/4885DHFR 836/4885
US-20240374590-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER NTPCR, PTPRC, NFATC1 ALDH1A1 1208/4885SMN1; SMN2 3280/4885DHFR 216/4885
US-20210038607-A1 OXADIAZOLYLTHIOPHENE DERIVATIVES USEFUL AS HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC5, HDAC3 ALDH1A1 1350/4885SMN1; SMN2 3345/4885DHFR 799/4885
US-20180186801-A1 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 ALDH1A1 1480/4885SMN1; SMN2 2001/4885DHFR 1318/4885
US-20190135836-A1 HETEROCYCLIC KINASE INHIBITORS MAP3K1, MAP3K20, MAP3K19 ALDH1A1 1582/4885SMN1; SMN2 3765/4885DHFR 943/4885

“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.