SCHEMBL374474

SCHEMBL374474

CCN1CCN(Cc2ccc(Nc3cc(NC)ncn3)cc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METTL3 Q86U44 2/20 0.47
ALDH1A1 P00352 2/20 0.47
RAB9A P51151 4/20 0.45
NPC1 O15118 4/20 0.45
TP53 P04637 3/20 0.45
POLB P06746 1/20 0.45
MKNK2 Q9HBH9 3/20 0.44
MKNK1 Q9BUB5 2/20 0.44
HCK P08631 2/20 0.44
BTK Q06187 1/20 0.44
FGFR1 P11362 3/20 0.43
FGFR2 P21802 3/20 0.43
FGFR4 P22455 3/20 0.43
FGFR3 P22607 3/20 0.43
CDK4 P11802 2/20 0.43
JAK2 O60674 2/20 0.43
ABL1 P00519 2/20 0.43
INSR P06213 2/20 0.43
LCK P06239 2/20 0.43
FYN P06241 2/20 0.43

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
SCHEMBL374541 0.86 TNNI3K (0.47) ALDH1A1RAB9ANPC1TP53POLB
SCHEMBL374708 0.85 HCK (0.58) HCKBTKFGFR1FGFR2FGFR4
SCHEMBL4950163 0.82 KDM1A (0.56) POLBHCKBTKJAK2FYN
SCHEMBL4949084 0.80 ABL1 (0.51) ALDH1A1HCKABL1BCRMAP3K7
SCHEMBL4947956 0.79 KIT (0.46) METTL3HCKBTKFGFR1FGFR2
SCHEMBL28023995 0.78 FGFR1 (0.50) RAB9ANPC1TP53POLBFGFR1
SCHEMBL28023618 0.78 FGFR1 (0.59) RAB9ANPC1TP53POLBFGFR1
SCHEMBL14659640 0.77 HCK (0.43) ALDH1A1RAB9ANPC1MKNK2MKNK1
SCHEMBL19986930 0.77 ALDH1A1 (0.65) ALDH1A1RAB9ANPC1TP53POLB
SCHEMBL4766476 0.77 CYP1A2 (0.53) FGFR3JAK2TYK2AURKAJAK1

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
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
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 METTL3 3803/4885ALDH1A1 4285/4885RAB9A 1396/4885
US-20130012704-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS MAP3K20, MAP3K1, CDK1 METTL3 3803/4885ALDH1A1 4285/4885RAB9A 1396/4885
US-20090137804-A1 Compounds and Compositions as Protein Kinase Inhibitors MAP3K20, MAP3K1, CDK1 METTL3 3803/4885ALDH1A1 4285/4885RAB9A 1396/4885

“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.