SCHEMBL582849

SCHEMBL582849

O=C(Nc1cc(NC2CCC(O)CC2)ncn1)Nc1c(Cl)cccc1Cl

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EGFR P00533 4/20 0.53
FGFR1 P11362 4/20 0.53
BRD4 O60885 1/20 0.47
MAPK7 Q13164 1/20 0.47
ABL1 P00519 1/20 0.46
PDGFRB P09619 1/20 0.46
KIT P10721 1/20 0.46
SRC P12931 1/20 0.46
BRAF P15056 1/20 0.46
KDR P35968 1/20 0.46
EPHB4 P54760 1/20 0.46
TEK Q02763 1/20 0.46
S1PR1 P21453 6/20 0.44
BTK Q06187 1/20 0.43
CCNT1 O60563 6/20 0.43
PRCP P42785 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL13855374 1.00 EGFR (0.53) EGFRFGFR1BRD4MAPK7ABL1
SCHEMBL582850 1.00 EGFR (0.53) EGFRFGFR1BRD4MAPK7ABL1
SCHEMBL374627 0.92 LCK (0.50) EGFRFGFR1BRD4MAPK7ABL1
SCHEMBL374628 0.92 LCK (0.50) EGFRFGFR1BRD4MAPK7ABL1
SCHEMBL13855372 0.92 LCK (0.50) EGFRFGFR1BRD4MAPK7ABL1
SCHEMBL13855370 0.89 S1PR1 (0.43) EGFRFGFR1BRD4MAPK7S1PR1
SCHEMBL374416 0.89 S1PR1 (0.43) EGFRFGFR1BRD4MAPK7S1PR1
SCHEMBL374417 0.89 S1PR1 (0.43) EGFRFGFR1BRD4MAPK7S1PR1
SCHEMBL13855368 0.86 EGFR (0.53) EGFRFGFR1ABL1PDGFRBKIT
SCHEMBL374334 0.86 EGFR (0.53) EGFRFGFR1ABL1PDGFRBKIT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 EGFR 397/4885FGFR1 683/4885BRD4 851/4885
US-20130012704-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS MAP3K20, MAP3K1, CDK1 EGFR 397/4885FGFR1 683/4885BRD4 851/4885
US-20090137804-A1 Compounds and Compositions as Protein Kinase Inhibitors MAP3K20, MAP3K1, CDK1 EGFR 397/4885FGFR1 683/4885BRD4 851/4885

“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.