SCHEMBL374541

SCHEMBL374541

CCN1CCN(Cc2cccc(Nc3cc(NC)ncn3)c2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNNI3K Q59H18 5/20 0.47
FGFR3 P22607 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C19 P33261 1/20 0.45
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
EGFR P00533 5/20 0.43
HCK P08631 2/20 0.42
BTK Q06187 1/20 0.42
BRAF P15056 2/20 0.42
KDR P35968 2/20 0.42
MAPK14 Q16539 2/20 0.42
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
JAK3 P52333 2/20 0.40
TP53 P04637 1/20 0.40
POLB P06746 1/20 0.40
JAK2 O60674 2/20 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
SCHEMBL4766476 0.91 CYP1A2 (0.53) TNNI3KFGFR3CYP1A2CYP3A4CYP2C19
SCHEMBL374379 0.87 KDM4E (0.46) TNNI3KFGFR3CYP1A2CYP3A4CYP2C19
SCHEMBL374474 0.86 METTL3 (0.47) TNNI3KFGFR3ALDH1A1KDM4EEGFR
SCHEMBL4947981 0.83 HCK (0.51) TNNI3KFGFR3CYP3A4CYP2C19ALDH1A1
SCHEMBL28175640 0.80 ALDH1A1 (0.56) ALDH1A1KDM4ETDP1NPC1RAB9A
SCHEMBL374315 0.78 TNNI3K (0.51) TNNI3KFGFR3CYP3A4CYP2C19EGFR
SCHEMBL374274 0.77 TNNI3K (0.53) TNNI3KFGFR3CYP1A2CYP3A4CYP2C19
SCHEMBL4950163 0.77 KDM1A (0.56) HCKBTKJAK3POLBJAK2
SCHEMBL25920563 0.77 PRMT6 (0.51) TNNI3KFGFR3CYP1A2CYP3A4CYP2C19
SCHEMBL374708 0.77 HCK (0.58) FGFR3KDM4EEGFRHCKBTK

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 TNNI3K 149/4885FGFR3 1045/4885CYP1A2 2591/4885
US-20130012704-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS MAP3K20, MAP3K1, CDK1 TNNI3K 149/4885FGFR3 1045/4885CYP1A2 2591/4885
US-20090137804-A1 Compounds and Compositions as Protein Kinase Inhibitors MAP3K20, MAP3K1, CDK1 TNNI3K 149/4885FGFR3 1045/4885CYP1A2 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.