SCHEMBL1908559

SCHEMBL1908559

CCOC(=O)c1ccc(C)c(Nc2nccc(-c3cccnc3)n2)c1

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 12/20 0.65
PDGFRA P16234 11/20 0.65
BCR P11274 10/20 0.65
PDGFRB P09619 6/20 0.65
PRKCA P17252 3/20 0.63
EGFR P00533 4/20 0.63
KIT P10721 4/20 0.62
JAK3 P52333 1/20 0.60
BTK Q06187 1/20 0.60
ITK Q08881 1/20 0.60
SRC P12931 1/20 0.59

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
SCHEMBL23246268 0.92 ABL1 (0.60) ABL1PDGFRABCRPDGFRBPRKCA
SCHEMBL534524 0.91 ABL1 (0.72) ABL1PDGFRABCRPDGFRBPRKCA
SCHEMBL17263678 0.89 ABL1 (0.66) ABL1PDGFRABCRPDGFRBPRKCA
SCHEMBL28891228 0.87 ABL1 (0.64) ABL1PDGFRABCRPDGFRBPRKCA
SCHEMBL1928420 0.87 PDGFRA (0.61) ABL1PDGFRABCRPDGFRBPRKCA
SCHEMBL3359726 0.87 ABL1 (0.51) ABL1PDGFRABCRPDGFRBPRKCA
SCHEMBL29707254 0.86 ABL1 (0.71) ABL1PDGFRABCRPDGFRBPRKCA
SCHEMBL533540 0.86 ABL1 (0.71) ABL1PDGFRABCRPDGFRBPRKCA
SCHEMBL12715062 0.86 ABL1 (0.77) ABL1PDGFRABCRPDGFRBPRKCA
SCHEMBL3947629 0.86 ABL1 (0.62) ABL1PDGFRABCRPDGFRBPRKCA

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 51 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4045494-B1 SYNTHESIS OF 6-METHYL-N1-(4-(PYRIDIN-3-YL)PYRIMIDIN-2-YL)BENZENE-1,3-DIAMINE ESCO ASTER PTE LTD (SG) 2023-10-11 EP disclosed
US-20230065387-A1 SYNTHESIS OF TYROSINE KINASE INHIBITORS ESCO ASTER PTE. LTD (SG) 2023-03-02 US disclosed
CN-114585615-A Synthesis of 6-methyl-N1- (4- (pyridin-3-yl) pyrimidin-2-yl) benzene-1, 3-diamine 新加坡艺思高艾斯特生物科技有限公司 2022-06-03 CN disclosed
CN-113968801-A Nilotinib intermediate and preparation method thereof 扬子江药业集团南京海陵药业有限公司 2022-01-25 CN disclosed
US-20210139433-A1 CRYSTAL FORM OF 3-(4-METHYL-1H-IMIDAZOL-1-YL)-5-TRIFLUOROMETHYLANILINE MONOHYDROCHLORIDE AND USE THEREOF ARIZEST (SHANGHAI) PHARMATECH CO., LTD. (CN) 2021-05-13 US disclosed
CN-112745300-A Method for preparing N- (5-carboxyl-2-methylphenyl) -4- (3-pyridine) -2-pyrimidinamine 杭州浙中医药科技有限公司 2021-05-04 CN disclosed
WO-2021074138-A1 SYNTHESIS OF 6-METHYL-N1-(4-(PYRIDIN-3-YL)PYRIMIDIN-2-YL)BENZENE-1,3-DIAMINE ESCO ASTER PTE. LTD. (SG) 2021-04-22 WO disclosed
CN-110078708-B Smo/Bcr-Abl dual-targeting inhibitor and synthetic method and application thereof 东南大学 2020-12-11 CN disclosed
US-10280153-B2 Process for the preparation of pure nilotinib and its salt F.I.S.—Fabbrica Italiana Sintetici S.p.A. (IT) 2019-05-07 US disclosed
US-20180334449-A1 PROCESS FOR THE PREPARATION OF PURE NILOTINIB AND ITS SALT F.I.S. - FABBRICA ITALIANA SINTETICI S.P.A. (IT) 2018-11-22 US disclosed
US-7569566-B2 4-Methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]-N-[5-(4-methyl-1H-imidazol1yl)-3-(trifluoromethyl)phenyl]benzamide or an N-oxide or salts; anticarcinogenic agent (leukaemia) NOVARTIS AG (CH) 2009-08-04 US disclosed
EP-1532138-B1 INHIBITORS OF TYROSINE KINASES NOVARTIS AG (CH) 2008-11-19 EP disclosed
US-20080188656-A1 Process for the Synthesis of 5- (Methyl-1H-Imidazol-1-Yl) -3- (Trifluoromethyl) -Benzeneamine NOVARTIS AG (CH) 2008-08-07 US disclosed
US-20080188656-A1 Process for the Synthesis of 5- (Methyl-1H-Imidazol-1-Yl) -3- (Trifluoromethyl) -Benzeneamine NOVARTIS AG (CH) 2008-08-07 US disclosed
US-20080188451-A1 INHIBITORS OF TYROSINE KINASES BREITENSTEIN WERNER 2008-08-07 US disclosed
US-20070093506-A1 Inhibitors of tyrosine kinases BREITENSTEIN WERNER 2007-04-26 US disclosed
US-7169791-B2 Inhibitors of tyrosine kinases NOVARTIS AG (CH) 2007-01-30 US disclosed
US-20060167015-A1 4-Methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]-N-[5-(4-methyl-1H-imidazol1yl)-3-(trifluoromethyl)phenyl]benzamide or an N-oxide or salts; anticarcinogenic agent (leukaemia) NOVARTIS AG (CH) 2006-07-27 US disclosed
EP-1532138-A1 INHIBITORS OF TYROSINE KINASES Novartis AG (CH) 2005-05-25 EP disclosed
WO-2004005281-A1 INHIBITORS OF TYROSINE KINASES NOVARTIS AG (CH) 2004-01-15 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 (8 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-20070093506-A1 Inhibitors of tyrosine kinases ABL1, BTK, FLT3 ABL1 1/4885PDGFRA 382/4885BCR 28/4885
US-20210139433-A1 CRYSTAL FORM OF 3-(4-METHYL-1H-IMIDAZOL-1-YL)-5-TRIFLUOROMETHYLANILINE MONOHYDROCHLORIDE AND USE THEREOF ABL1, FYN, FLT3 ABL1 1/4885PDGFRA 720/4885BCR 147/4885
US-20080188656-A1 Process for the Synthesis of 5- (Methyl-1H-Imidazol-1-Yl) -3- (Trifluoromethyl) -Benzeneamine CYP1B1, CYP1A1, PRMT5 ABL1 10/4885PDGFRA 680/4885BCR 502/4885
US-10280153-B2 Process for the preparation of pure nilotinib and its salt ABL1, ABL2, LCK ABL1 1/4885PDGFRA 398/4885BCR 87/4885
US-20080188451-A1 INHIBITORS OF TYROSINE KINASES ABL1, BTK, FLT3 ABL1 1/4885PDGFRA 382/4885BCR 28/4885
US-20230065387-A1 SYNTHESIS OF TYROSINE KINASE INHIBITORS ABL1, ROS1, ABL2 ABL1 1/4885PDGFRA 211/4885BCR 5/4885
US-20060167015-A1 4-Methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]-N-[5-(4-methyl-1H-imidazol1yl)-3-(trifluoromethyl)phenyl]benzamide or an N-oxide or salts; anticarcinogenic agent (leukaemia) ABL1, CDK2, CDKN1A ABL1 1/4885PDGFRA 440/4885BCR 181/4885
US-20180334449-A1 PROCESS FOR THE PREPARATION OF PURE NILOTINIB AND ITS SALT ABL1, ABL2, LCK ABL1 1/4885PDGFRA 398/4885BCR 87/4885

“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.