SCHEMBL374416

SCHEMBL374416

O=C(Nc1cc(NC2CCC(O)CC2)ncn1)Nc1c(Cl)cc(Cl)cc1Cl

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 9/20 0.43
EGFR P00533 3/20 0.41
FGFR1 P11362 3/20 0.41
PRCP P42785 2/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
BRD4 O60885 1/20 0.39
MAPK7 Q13164 1/20 0.39
S1PR5 Q9H228 1/20 0.38
BTK Q06187 1/20 0.38
DRD4 P21917 1/20 0.38
CCNT1 O60563 1/20 0.37
MAPK14 Q16539 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
SCHEMBL374417 1.00 S1PR1 (0.43) S1PR1EGFRFGFR1PRCPMEN1
SCHEMBL13855370 1.00 S1PR1 (0.43) S1PR1EGFRFGFR1PRCPMEN1
SCHEMBL13855374 0.89 EGFR (0.53) S1PR1EGFRFGFR1PRCPBRD4
SCHEMBL582850 0.89 EGFR (0.53) S1PR1EGFRFGFR1PRCPBRD4
SCHEMBL582849 0.89 EGFR (0.53) S1PR1EGFRFGFR1PRCPBRD4
SCHEMBL374628 0.82 LCK (0.50) S1PR1EGFRFGFR1BRD4MAPK7
SCHEMBL374627 0.82 LCK (0.50) S1PR1EGFRFGFR1BRD4MAPK7
SCHEMBL13855372 0.82 LCK (0.50) S1PR1EGFRFGFR1BRD4MAPK7
SCHEMBL374169 0.81 EGFR (0.39) S1PR1EGFRFGFR1PRCPMEN1
SCHEMBL374170 0.81 EGFR (0.39) S1PR1EGFRFGFR1PRCPMEN1

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
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 claimed
US-20130012476-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2013-01-10 US claimed
EP-1761505-B1 PYRIMIDINE UREA DERIVATIVES AS KINASE INHIBITORS NOVARTIS AG (CH) 2011-08-17 EP claimed
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

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 S1PR1 1157/4885EGFR 397/4885FGFR1 683/4885
US-20130012704-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS MAP3K20, MAP3K1, CDK1 S1PR1 1157/4885EGFR 397/4885FGFR1 683/4885
US-20090137804-A1 Compounds and Compositions as Protein Kinase Inhibitors MAP3K20, MAP3K1, CDK1 S1PR1 1157/4885EGFR 397/4885FGFR1 683/4885

“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.