SCHEMBL374664

SCHEMBL374664

CN1CCN(CCOc2ccc(Nc3cc(N)ncn3)cc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 6/20 0.50
FGFR1 P11362 2/20 0.50
SCN9A Q15858 1/20 0.50
YES1 P07947 1/20 0.48
LTA4H P09960 1/20 0.47
EGFR P00533 1/20 0.47
ERBB3 P21860 1/20 0.47
CYP3A4 P08684 1/20 0.46
FGFR3 P22607 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
PDGFRB P09619 1/20 0.43
BACE1 P56817 2/20 0.43
AXL P30530 1/20 0.43
ALDH1A1 P00352 2/20 0.43
CDK1 P06493 1/20 0.43
CCNB1 P14635 1/20 0.43
CCNA2 P20248 1/20 0.43
CCNE1 P24864 1/20 0.43
CDK2 P24941 1/20 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
SCHEMBL374263 0.90 LTA4H (0.52) SCN9ALTA4HCYP3A4FGFR3BACE1
SCHEMBL374753 0.88 SRC (0.50) SRCFGFR1YES1LTA4HEGFR
SCHEMBL4764873 0.87 ABL1 (0.57) SRCSCN9ALTA4HCYP3A4BACE1
SCHEMBL374272 0.82 SRC (0.51) SRCFGFR1EGFRERBB3MEN1
SCHEMBL374814 0.80 CYP3A4 (0.53) SRCYES1LTA4HCYP3A4FGFR3
SCHEMBL374259 0.78 CYP3A4 (0.51) SRCLTA4HEGFRCYP3A4FGFR3
SCHEMBL4947033 0.77 ABL1 (0.59) SRCLTA4HCYP3A4ALDH1A1CCNA2
SCHEMBL11876799 0.77 LTA4H (0.56) SRCYES1LTA4HMEN1KMT2A
SCHEMBL11875699 0.77 LTA4H (0.68) LTA4H
SCHEMBL12722854 0.76 LTA4H (0.58) LTA4HMEN1KMT2AALDH1A1USP2

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
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-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

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 SRC 116/4885FGFR1 683/4885SCN9A 3110/4885
US-20130012704-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS MAP3K20, MAP3K1, CDK1 SRC 116/4885FGFR1 683/4885SCN9A 3110/4885
US-20090137804-A1 Compounds and Compositions as Protein Kinase Inhibitors MAP3K20, MAP3K1, CDK1 SRC 116/4885FGFR1 683/4885SCN9A 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.