SCHEMBL374428

SCHEMBL374428

COc1ccc(Nc2cc(N)ncn2)cn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.51
KMT2A Q03164 5/20 0.51
SCN9A Q15858 1/20 0.50
PABPC1 P11940 2/20 0.49
CDK1 P06493 1/20 0.49
CCNB1 P14635 1/20 0.49
CCNA2 P20248 1/20 0.49
CCNE1 P24864 1/20 0.49
CDK2 P24941 1/20 0.49
CDK5 Q00535 1/20 0.49
CDK5R1 Q15078 1/20 0.49
PIK3CG P48736 10/20 0.48
PIK3CA P42336 10/20 0.48
PIK3CD O00329 9/20 0.48
PIK3CB P42338 9/20 0.48
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
PIP4K2A P48426 2/20 0.45
MTOR P42345 1/20 0.44
PI4KB Q9UBF8 1/20 0.44

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
SCHEMBL9929561 0.80 SCN9A (0.56) MEN1KMT2ASCN9ACDK1CCNB1
SCHEMBL10187337 0.80 MEN1 (0.81) MEN1KMT2ASCN9ACDK1CCNB1
SCHEMBL1094522 0.79 SCN9A (0.58) MEN1KMT2ASCN9ACDK1CCNB1
SCHEMBL13472418 0.79 KMO (0.56) MEN1KMT2APABPC1PIK3CANPC1
SCHEMBL1097149 0.78 MEN1 (0.78) MEN1KMT2ASCN9ACDK1CCNB1
SCHEMBL29636514 0.78 KMT2A (0.55) MEN1KMT2APABPC1PIK3CGPIK3CA
SCHEMBL14127702 0.78 KMT2A (0.55) MEN1KMT2APABPC1PIK3CGPIK3CA
SCHEMBL27606990 0.77 MEN1 (0.57) MEN1KMT2APABPC1PIK3CGPIK3CA
SCHEMBL13288393 0.74 MAPT (0.67) PIK3CGPIK3CAPIK3CDPIK3CBRAB9A
SCHEMBL1013630 0.74 ABL1 (0.62) MEN1KMT2ANPC1USP2

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-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
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 MEN1 559/4885KMT2A 1867/4885SCN9A 3110/4885
US-20130012704-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS MAP3K20, MAP3K1, CDK1 MEN1 559/4885KMT2A 1867/4885SCN9A 3110/4885
US-20090137804-A1 Compounds and Compositions as Protein Kinase Inhibitors MAP3K20, MAP3K1, CDK1 MEN1 559/4885KMT2A 1867/4885SCN9A 3110/4885

“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.