SCHEMBL374504

SCHEMBL374504

CCNc1cc(Nc2cccc(CN(C)C)c2)ncn1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 5/20 0.64
CYP3A4 P08684 2/20 0.48
CYP2C19 P33261 2/20 0.48
FGFR3 P22607 1/20 0.48
CYP2D6 P10635 3/20 0.46
LMNA P02545 2/20 0.46
CYP1A2 P05177 2/20 0.46
ADORA2A P29274 1/20 0.43
JAK3 P52333 3/20 0.43
JAK2 O60674 1/20 0.42
JAK1 P23458 1/20 0.42
TNNI3K Q59H18 3/20 0.42
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
HSD17B10 Q99714 2/20 0.42
ALDH1A1 P00352 1/20 0.42
TSHR P16473 1/20 0.42
CASP1 P29466 1/20 0.42

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
SCHEMBL374274 0.86 TNNI3K (0.53) EGFRCYP3A4CYP2C19FGFR3CYP2D6
SCHEMBL27318793 0.84 EGFR (0.67) EGFRJAK3JAK2JAK1TNNI3K
SCHEMBL374636 0.84 CYP2D6 (0.51) EGFRCYP3A4CYP2C19FGFR3CYP2D6
SCHEMBL23134330 0.78 NOS1 (0.51) CYP3A4CYP2C19CYP2D6CYP1A2ALDH1A1
SCHEMBL2175165 0.78 EGFR (1.00) EGFRLMNATNNI3KMEN1NPC1
SCHEMBL2177111 0.78 EGFR (0.70) EGFRLMNAJAK3TNNI3KMEN1
SCHEMBL374315 0.76 TNNI3K (0.51) EGFRCYP3A4CYP2C19FGFR3ADORA2A
SCHEMBL374544 0.76 TNNI3K (0.48) EGFRCYP3A4CYP2C19FGFR3CYP2D6
SCHEMBL27523685 0.76 EGFR (0.51) EGFRCYP2C19JAK3NOS1NOS2
SCHEMBL2176219 0.76 EGFR (0.67) EGFRCYP3A4CYP2C19CYP2D6LMNA

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 11 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-20130012476-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2013-01-10 US disclosed
US-20130012704-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS DING QIANG (CN) 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 (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 EGFR 397/4885CYP3A4 2987/4885CYP2C19 2075/4885
US-20130012704-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS MAP3K20, MAP3K1, CDK1 EGFR 397/4885CYP3A4 2987/4885CYP2C19 2075/4885
US-20090137804-A1 Compounds and Compositions as Protein Kinase Inhibitors MAP3K20, MAP3K1, CDK1 EGFR 397/4885CYP3A4 2987/4885CYP2C19 2075/4885

“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.