SCHEMBL373960

SCHEMBL373960

CNc1cc(Nc2ccc(F)cc2)ncn1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 3/20 0.57
ERBB3 P21860 2/20 0.57
CYP1A2 P05177 4/20 0.56
CYP2C19 P33261 4/20 0.56
CYP2D6 P10635 3/20 0.56
CYP3A4 P08684 3/20 0.56
MAPK1 P28482 3/20 0.56
HPGD P15428 1/20 0.56
MEN1 O00255 6/20 0.55
KMT2A Q03164 6/20 0.55
USP2 O75604 2/20 0.55
ALDH1A1 P00352 2/20 0.55
ALOX15 P16050 2/20 0.55
HSD17B10 Q99714 2/20 0.55
CLK4 Q9HAZ1 2/20 0.55
TP53 P04637 1/20 0.55
GLA P06280 1/20 0.55
CYP2C9 P11712 1/20 0.55
MAPK10 P53779 2/20 0.54
LMNA P02545 3/20 0.54

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
SCHEMBL27991640 0.82 CYP1A2 (0.60) EGFRERBB3CYP1A2CYP2C19CYP2D6
SCHEMBL374096 0.80 CDK5 (0.61) EGFRERBB3CYP1A2CYP2C19CYP2D6
SCHEMBL12485614 0.79 MEN1 (0.87) EGFRERBB3MAPK1MEN1KMT2A
SCHEMBL22328022 0.79 NPC1 (0.64) EGFRERBB3CYP1A2CYP2C19CYP2D6
SCHEMBL5177808 0.79 TNNI3K (0.52) EGFRCYP1A2CYP2C19CYP2D6CYP3A4
SCHEMBL374476 0.78 GAA (0.50) EGFRERBB3MAPK1ALDH1A1NPC1
SCHEMBL374155 0.78 ABL1 (0.62) EGFRCYP1A2CYP3A4MEN1KMT2A
SCHEMBL374182 0.77 EGFR (0.49) EGFRERBB3CYP1A2HPGDMEN1
SCHEMBL4724653 0.77 NPC1 (0.55) EGFRERBB3CYP1A2MEN1KMT2A
SCHEMBL27317919 0.77 EGFR (0.49) EGFRERBB3CYP1A2CYP2C19CYP2D6

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 13 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
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
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 EGFR 397/4885ERBB3 134/4885CYP1A2 2591/4885
US-20130012704-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS MAP3K20, MAP3K1, CDK1 EGFR 397/4885ERBB3 134/4885CYP1A2 2591/4885
US-20090137804-A1 Compounds and Compositions as Protein Kinase Inhibitors MAP3K20, MAP3K1, CDK1 EGFR 397/4885ERBB3 134/4885CYP1A2 2591/4885

“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.