SCHEMBL393560

SCHEMBL393560

CC1(C)OB(c2ccc3c(=O)[nH]cnc3c2)OC1(C)C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 10/20 0.54
CHEK1 O14757 2/20 0.54
PIM1 P11309 2/20 0.54
RPS6KA3 P51812 1/20 0.54
ALDH1A1 P00352 1/20 0.50
PIK3CD O00329 1/20 0.44
PIK3CA P42336 1/20 0.44
PIK3CB P42338 1/20 0.44
PDPK1 O15530 1/20 0.44
CA12 O43570 1/20 0.44
ALOX15 P16050 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CA9 Q16790 1/20 0.44
TNKS2 Q9H2K2 1/20 0.44
PRMT5 O14744 2/20 0.42
WDR77 Q9BQA1 2/20 0.42
KDM4A O75164 1/20 0.41
KDM4B O94953 1/20 0.41
KDM5C P41229 1/20 0.41
KDM4C Q9H3R0 1/20 0.41

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
SCHEMBL30016751 1.00 PARP1 (0.54) PARP1CHEK1PIM1RPS6KA3ALDH1A1
SCHEMBL8212169 0.89 PARP1 (0.54) PARP1CHEK1PIM1RPS6KA3PDPK1
SCHEMBL2379179 0.80 LPL (0.40) ALDH1A1CA9LPLLIPG
SCHEMBL3263058 0.78 PRMT5 (0.40) CA12CA9PRMT5WDR77LPL
SCHEMBL31037319 0.77 KDM4E (0.48) PARP1ALDH1A1SMN1; SMN2TNKS2PRMT5
SCHEMBL3263196 0.77 KDM4E (0.48) PARP1ALDH1A1SMN1; SMN2TNKS2PRMT5
SCHEMBL29525463 0.77 MMP12 (0.45) LPLLIPG
SCHEMBL874992 0.77 MMP12 (0.45) LPLLIPG
SCHEMBL391998 0.75 GSK3A (0.46) PARP1CHEK1PIM1RPS6KA3ALDH1A1
SCHEMBL3225882 0.75 PRMT5 (0.40) CA12CA9PRMT5WDR77LPL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117120429-A KHK inhibitor 吉利德科学公司 2023-11-24 CN disclosed
US-10034884-B2 Pyrido-, pyrazo- and pyrimido-pyrimidine derivatives as mTOR inhibitors KUDOS PHARMACEUTICALS LIMITED (GB) 2018-07-31 US disclosed
US-20170281637-A1 Pyrido-, Pyrazo- and Pyrimido-Pyrimidine Derivatives as mTOR Inhibitors KUDOS PHARMACEUTICALS LIMITED (GB) 2017-10-05 US disclosed
US-9717736-B2 Pyrido-, pyrazo- and pyrimido-pyrimidine derivatives as mTOR inhibitors KUDOS PHARMACEUTICALS LIMITED (GB) 2017-08-01 US disclosed
EP-2057156-B1 2-METHYLMORPHOLINE PYRIDO-,PYRAZO- AND PYRIMIDO-PYRIMIDINE DERIVATIVES AS MTOR INHIBITORS KUDOS PHARM LTD (GB) 2017-02-01 EP disclosed
WO-2016161145-A1 STK4 INHIBITORS FOR TREATMENT OF HEMATOLOGIC MALIGNANCIES DANA-FARBER CANCER INSTITUTE, INC. (US) 2016-10-06 WO disclosed
US-20160067258-A1 Pyrido-, Pyrazo- and Pyrimido-Pyrimidine Derivatives as mTOR Inhibitors KUDOS PHARM LTD (GB) 2016-03-10 US disclosed
US-9102670-B2 Pyrido-, pyrazo- and pyrimido-pyrimidine derivatives as mTOR inhibitors KUDOS PHARMACEUTICALS LIMITED (GB) 2015-08-11 US disclosed
US-20140135315-A1 Pyrido-, Pyrazo- and Pyrimido-Pyrimidine Derivatives as mTOR Inhibitors KUDOS PHARMACEUTICALS LIMITED (GB) 2014-05-15 US disclosed
EP-2299824-B1 PYRAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH MERCK SHARP & DOHME (US) 2013-06-19 EP disclosed
US-20120142673-A1 Pyrido-, Pyrazo- and Pyrimido-Pyrimidine Derivatives as mTOR Inhibitors KUDOS PHARMACEUTICALS LIMITED (GB) 2012-06-07 US disclosed
US-8101602-B2 Pyrido-, pyrazo- and pyrimido-pyrimidine derivatives as mTOR inhibitors Kudos Pharmaceuticals, Ltd. (GB) 2012-01-24 US disclosed
US-20110144056-A1 PYRAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH MERCK SHARP & DOHME CORP. 2011-06-16 US disclosed
US-20110144056-A1 PYRAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH MERCK SHARP & DOHME CORP. 2011-06-16 US disclosed
US-20110124638-A1 Pyrido-, Pyrazo- and Pyrimido-Pyrimidine Derivatives as mTOR Inhibitors KUDOS PHARMACEUTICALS LIMITED (GB) 2011-05-26 US disclosed
US-7902189-B2 antitumor agent, anticarcinogenic agents; 7-Chloro-2-((2S,6R)-2,6-dimethyl-morpholin-4-yl)-4-morpholin-4-yl-pyrido[2,3-d]pyrimidine; inhibitors of mTOR kinase ASTRAZENECA AB (SE) 2011-03-08 US disclosed
EP-2057156-A1 2-METHYLMORPHOLINE PYRIDO-, PYRAZO- AND PYRIMIDO-PYRIMIDINE DERIVATIVES AS MTOR INHIBITORS Kudos Pharmaceuticals Limited (GB) 2009-05-13 EP disclosed
US-20080194546-A1 Pyrido-, Pyrazo- and Pyrimido-Pyrimidine Derivatives as mTOR Inhibitors KUDOS PHARMACEUTICALS LIMITED (GB) 2008-08-14 US disclosed
US-20080081809-A1 Novel Compounds KUDOS PHARMACEUTICALS LIMITED (GB) 2008-04-03 US disclosed
WO-2008023161-A1 2-METHYLMORPHOLINE PYRIDO-, PYRAZO- AND PYRIMIDO-PYRIMIDINE DERIVATIVES AS MTOR INHIBITORS KUDOS PHARMACEUTICALS LIMITED (GB) 2008-02-28 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 (9 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-20170281637-A1 Pyrido-, Pyrazo- and Pyrimido-Pyrimidine Derivatives as mTOR Inhibitors MTOR, RICTOR, RPTOR PARP1 682/4885CHEK1 198/4885PIM1 158/4885
US-20110144056-A1 PYRAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH FAAH, FAAH2, HRH2 PARP1 1554/4885CHEK1 3641/4885PIM1 1879/4885
US-10034884-B2 Pyrido-, pyrazo- and pyrimido-pyrimidine derivatives as mTOR inhibitors MTOR, RICTOR, RPTOR PARP1 682/4885CHEK1 198/4885PIM1 158/4885
US-20120142673-A1 Pyrido-, Pyrazo- and Pyrimido-Pyrimidine Derivatives as mTOR Inhibitors MTOR, RICTOR, RPTOR PARP1 682/4885CHEK1 198/4885PIM1 158/4885
US-20160067258-A1 Pyrido-, Pyrazo- and Pyrimido-Pyrimidine Derivatives as mTOR Inhibitors MTOR, RICTOR, RPTOR PARP1 682/4885CHEK1 198/4885PIM1 158/4885
US-20110124638-A1 Pyrido-, Pyrazo- and Pyrimido-Pyrimidine Derivatives as mTOR Inhibitors MTOR, RICTOR, RPTOR PARP1 698/4885CHEK1 227/4885PIM1 151/4885
US-20080081809-A1 Novel Compounds SLC10A1, ABCB11, PKD1 PARP1 2131/4885CHEK1 1470/4885PIM1 1377/4885
US-20140135315-A1 Pyrido-, Pyrazo- and Pyrimido-Pyrimidine Derivatives as mTOR Inhibitors MTOR, RICTOR, RPTOR PARP1 682/4885CHEK1 198/4885PIM1 158/4885
US-20080194546-A1 Pyrido-, Pyrazo- and Pyrimido-Pyrimidine Derivatives as mTOR Inhibitors RPS6KB1, RPS6KA1, RPS3A PARP1 3257/4885CHEK1 1649/4885PIM1 2999/4885

“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.