SCHEMBL374390

SCHEMBL374390

CC(C)N1CCN(Cc2cccc([N+](=O)[O-])c2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 1.00
KDM4E B2RXH2 6/20 1.00
TDP1 Q9NUW8 1/20 1.00
L3MBTL1 Q9Y468 1/20 0.67
MAPK1 P28482 4/20 0.60
SMN1; SMN2 Q16637 3/20 0.60
LMNA P02545 3/20 0.60
POLB P06746 2/20 0.60
MAPT P10636 1/20 0.60
NPSR1 Q6W5P4 1/20 0.59
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
GAA P10253 1/20 0.54
GFER P55789 1/20 0.54
RAB9A P51151 1/20 0.51
FAAH O00519 1/20 0.51
MGLL Q99685 1/20 0.51
SIGMAR1 Q99720 1/20 0.50

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
SCHEMBL15800712 0.89 ALDH1A1 (0.78) ALDH1A1KDM4ETDP1L3MBTL1MAPK1
SCHEMBL2716970 0.85 ALDH1A1 (0.73) ALDH1A1KDM4ETDP1L3MBTL1MAPK1
SCHEMBL374227 0.85 ALDH1A1 (0.73) ALDH1A1KDM4ETDP1L3MBTL1MAPK1
SCHEMBL10826462 0.83 ALDH1A1 (0.71) ALDH1A1KDM4ETDP1L3MBTL1MAPK1
SCHEMBL1126241 0.83 KDM4E (0.71) ALDH1A1KDM4ETDP1MAPK1SMN1; SMN2
SCHEMBL922597 0.83 ALDH1A1 (0.70) ALDH1A1KDM4ETDP1L3MBTL1MAPK1
SCHEMBL922442 0.81 ALDH1A1 (0.68) ALDH1A1KDM4ETDP1L3MBTL1MAPK1
SCHEMBL3568406 0.81 ALDH1A1 (0.68) ALDH1A1KDM4ETDP1L3MBTL1MAPK1
SCHEMBL28215819 0.81 ALDH1A1 (0.68) ALDH1A1KDM4ETDP1L3MBTL1MAPK1
SCHEMBL5578769 0.80 ALDH1A1 (0.67) ALDH1A1KDM4ETDP1L3MBTL1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103121972-B As the pyrimidine urea derivatives of kinase inhibitor NOVARTIS AG (CH) 2015-07-29 CN disclosed
US-9034850-B2 Gonadotropin releasing hormone receptor antagonist, preparation method thereof and pharmaceutical composition comprising the same SK CHEMICALS CO., LTD. (KR) 2015-05-19 US disclosed
EP-2418205-B1 Pyrimidine urea derivatives as kinase inhibitors NOVARTIS AG (CH) 2014-01-22 EP disclosed
US-8552002-B2 3-(2,6-Dichloro-3,5-dimethoxy-phenyl)-1-[6-(2,6-dimethyl-pyridin-3-ylamino)-pyrimidin-4-yl]-1-methyl-urea; 3-(2,6-Dichloro-3,5-dimethoxy-phenyl)-1-methyl-1-{6-[4-(4-methyl-piperazin-1-yl)-phenylamino]-pyrimidin-4-yl}-urea NOVARTIS AG (CH) 2013-10-08 US disclosed
EP-2409969-B1 Pyrimidine urea derivatives as kinase inhibitors NOVARTIS AG (CH) 2013-07-24 EP disclosed
US-20130137661-A1 Gonadotropin Releasing Hormone Receptor Antagonist, Preparation Method Thereof And Pharmaceutical Composition Comprising The Same SK CHEMICALS CO. LTD. (KR) 2013-05-30 US disclosed
CN-103121973-A Pyrimidine urea derivatives as kinase inhibitors NOVARTIS AG 2013-05-29 CN disclosed
CN-103121972-A Pyrimidine urea derivatives as kinase inhibitors NOVARTIS AG 2013-05-29 CN disclosed
US-20130012704-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS DING QIANG (CN) 2013-01-10 US disclosed
US-20130012476-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2013-01-10 US disclosed
EP-2418205-A1 Pyrimidine urea derivatives as kinase inhibitors Novartis AG (CH) 2012-02-15 EP disclosed
EP-2409969-A1 Pyrimidine urea derivatives as kinase inhibitors Novartis AG (CH) 2012-01-25 EP disclosed
EP-1761505-B1 PYRIMIDINE UREA DERIVATIVES AS KINASE INHIBITORS NOVARTIS AG (CH) 2011-08-17 EP disclosed
US-20090137804-A1 Compounds and Compositions as Protein Kinase Inhibitors NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2009-05-28 US disclosed
EP-1761505-A1 PYRIMIDINE UREA DERIVATIVES AS KINASE INHIBITORS Novartis AG (CH) 2007-03-14 EP disclosed
WO-2006000420-A1 PYRIMIDINE UREA DERIVATIVES AS KINASE INHIBITORS NOVARTIS AG (CH) 2006-01-05 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 (4 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-20130137661-A1 Gonadotropin Releasing Hormone Receptor Antagonist, Preparation Method Thereof And Pharmaceutical Composition Comprising The Same GNRHR, GHRHR, LHCGR ALDH1A1 4714/4885KDM4E 1982/4885TDP1 4673/4885
US-20130012476-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS MAP3K20, MAP3K1, CDK1 ALDH1A1 4285/4885KDM4E 1074/4885TDP1 915/4885
US-20130012704-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS MAP3K20, MAP3K1, CDK1 ALDH1A1 4285/4885KDM4E 1074/4885TDP1 915/4885
US-20090137804-A1 Compounds and Compositions as Protein Kinase Inhibitors MAP3K20, MAP3K1, CDK1 ALDH1A1 4285/4885KDM4E 1074/4885TDP1 915/4885

“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.