SCHEMBL374379

SCHEMBL374379

CNc1cc(Nc2cccc(CN3CCN(C(C)C)CC3)c2)ncn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
TNNI3K Q59H18 5/20 0.45
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
FGFR3 P22607 1/20 0.43
CYP2C19 P33261 1/20 0.43
BRAF P15056 1/20 0.40
KDR P35968 1/20 0.40
MAPK14 Q16539 1/20 0.40
EGFR P00533 4/20 0.39
CDK6 Q00534 3/20 0.39
JAK2 O60674 2/20 0.38
JAK1 P23458 1/20 0.38
PARP1 P09874 1/20 0.38
AURKA O14965 1/20 0.37
RPS6KB1 P23443 1/20 0.37
SCN9A Q15858 1/20 0.37
JAK3 P52333 1/20 0.37

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
SCHEMBL4766476 0.87 CYP1A2 (0.53) TNNI3KCYP1A2CYP3A4FGFR3CYP2C19
SCHEMBL374541 0.87 TNNI3K (0.47) KDM4EALDH1A1TDP1TNNI3KCYP1A2
SCHEMBL4950163 0.74 KDM1A (0.56) JAK2JAK1JAK3
SCHEMBL374635 0.74 CD274 (0.55) KDM4EALDH1A1FGFR3EGFRJAK2
SCHEMBL25920563 0.74 PRMT6 (0.51) KDM4EALDH1A1TDP1TNNI3KCYP1A2
SCHEMBL374474 0.74 METTL3 (0.47) KDM4EALDH1A1TNNI3KFGFR3BRAF
SCHEMBL2282067 0.74 TNNI3K (0.66) TNNI3KEGFR
SCHEMBL12517901 0.73 TNNI3K (0.69) TNNI3KEGFR
SCHEMBL15122182 0.73 FGFR3 (0.61) TNNI3KCYP1A2CYP3A4FGFR3CYP2C19
SCHEMBL374274 0.72 TNNI3K (0.53) ALDH1A1TNNI3KCYP1A2CYP3A4FGFR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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

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 KDM4E 1074/4885ALDH1A1 4285/4885TDP1 915/4885
US-20130012704-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS MAP3K20, MAP3K1, CDK1 KDM4E 1074/4885ALDH1A1 4285/4885TDP1 915/4885
US-20090137804-A1 Compounds and Compositions as Protein Kinase Inhibitors MAP3K20, MAP3K1, CDK1 KDM4E 1074/4885ALDH1A1 4285/4885TDP1 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.