SCHEMBL374443

SCHEMBL374443

CCN(CC)Cc1cccc([N+](=O)[O-])c1

nearest known ligand 0.85

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.85
CYP2D6 P10635 1/20 0.85
CYP2C9 P11712 1/20 0.85
CYP2C19 P33261 1/20 0.85
ALDH1A1 P00352 4/20 0.62
LMNA P02545 3/20 0.62
PYCR1 P32322 1/20 0.58
TSHR P16473 3/20 0.57
ACHE P22303 2/20 0.49
MAPT P10636 2/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
NPC1 O15118 1/20 0.47
HTT P42858 1/20 0.47
RAB9A P51151 1/20 0.47
ATM Q13315 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL10648914 0.90 CYP1A2 (0.74) CYP1A2CYP2D6CYP2C9CYP2C19ALDH1A1
SCHEMBL1205031 0.87 CYP1A2 (0.71) CYP1A2CYP2D6CYP2C9CYP2C19ALDH1A1
SCHEMBL1734204 0.84 CYP1A2 (0.67) CYP1A2CYP2D6CYP2C9CYP2C19ALDH1A1
SCHEMBL10650109 0.84 CYP1A2 (0.67) CYP1A2CYP2D6CYP2C9CYP2C19ALDH1A1
SCHEMBL1097545 0.83 PYCR1 (0.66) CYP1A2CYP2D6CYP2C9CYP2C19ALDH1A1
SCHEMBL15498206 0.83 CYP1A2 (0.64) CYP1A2CYP2D6CYP2C9CYP2C19ALDH1A1
SCHEMBL4934026 0.82 ALDH1A1 (0.65) CYP1A2CYP2D6CYP2C9CYP2C19ALDH1A1
SCHEMBL25189585 0.81 CYP2C19 (0.63) CYP1A2CYP2D6CYP2C9CYP2C19ALDH1A1
SCHEMBL4940669 0.81 ALDH1A1 (0.86) CYP1A2CYP2D6CYP2C9CYP2C19ALDH1A1
SCHEMBL8421360 0.81 ALDH1A1 (0.68) CYP1A2CYP2D6CYP2C9CYP2C19ALDH1A1

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
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
CN-103121972-A Pyrimidine urea derivatives as kinase inhibitors NOVARTIS AG 2013-05-29 CN disclosed
CN-103121973-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
CN-101035769-A Pyrimidine urea derivatives as kinase inhibitors NOVARTIS AG (CH) 2007-09-12 CN 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
US-4339461-A FUNGICIDES CHEVRON RESEARCH COMPANY (US) 1982-07-13 US 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 (3 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-20130012476-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS MAP3K20, MAP3K1, CDK1 CYP1A2 2591/4885CYP2D6 2846/4885CYP2C9 3263/4885
US-20130012704-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS MAP3K20, MAP3K1, CDK1 CYP1A2 2591/4885CYP2D6 2846/4885CYP2C9 3263/4885
US-20090137804-A1 Compounds and Compositions as Protein Kinase Inhibitors MAP3K20, MAP3K1, CDK1 CYP1A2 2591/4885CYP2D6 2846/4885CYP2C9 3263/4885

“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.