SCHEMBL504040

SCHEMBL504040

CN(C)/C=C/C(=O)c1cccnc1Cl

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.53
LMNA P02545 4/20 0.53
MAPT P10636 10/20 0.49
GAA P10253 5/20 0.49
HTT P42858 4/20 0.49
HPGD P15428 2/20 0.49
CYP1A2 P05177 2/20 0.49
CYP2C19 P33261 2/20 0.49
ALOX12 P18054 1/20 0.49
ALDH1A1 P00352 7/20 0.48
RECQL P46063 2/20 0.47
KDM4E B2RXH2 1/20 0.45
RAB9A P51151 6/20 0.45
NPC1 O15118 5/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
POLB P06746 1/20 0.42

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
SCHEMBL12778132 1.00 SMN1; SMN2 (0.53) SMN1; SMN2LMNAMAPTGAAHTT
SCHEMBL504041 1.00 SMN1; SMN2 (0.53) SMN1; SMN2LMNAMAPTGAAHTT
SCHEMBL10921898 0.83 MAPT (0.50) SMN1; SMN2LMNAMAPTGAAHTT
SCHEMBL10921894 0.83 MAPT (0.50) SMN1; SMN2LMNAMAPTGAAHTT
SCHEMBL482400 0.82 LMNA (0.58) SMN1; SMN2LMNAGAAHTTCYP1A2
SCHEMBL482402 0.82 LMNA (0.58) SMN1; SMN2LMNAGAAHTTCYP1A2
SCHEMBL5069532 0.81 MAPT (0.49) SMN1; SMN2LMNAMAPTGAAHTT
SCHEMBL3605170 0.80 MAPT (0.47) SMN1; SMN2LMNAMAPTGAAHTT
SCHEMBL13503036 0.80 MAPT (0.47) SMN1; SMN2LMNAMAPTGAAHTT
SCHEMBL7536577 0.79 LMNA (0.62) SMN1; SMN2LMNAMAPTGAACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2818170-B1 N-(4-((3-(2-amino-4-pyrimidinyl)-2-pyridin yl)oxy)phenyl)-4-(4-methyl-2-thienyl)-1-phthalazinamine for use in the treatment of antimitotic agent resistant cancer AMGEN INC (US) 2018-12-05 EP disclosed
US-10053452-B2 Crystalline forms of N-(4-((3-(2-amino-4-pyrimidinyl)-2-pyridinyl)oxy)phenyl)-4-(4-methyl-2-thienyl)-1-phthalazinamine salts and uses thereof AMGEN INC. (US) 2018-08-21 US disclosed
US-20160304504-A1 CRYSTALLINE FORMS OF N-(4-((3-(2-AMINO-4-PYRIMIDINYL)-2-PYRIDINYL)OXY)PHENYL)-4-(4-METHYL -2-THIENYL)-1-PHTHALAZINAMINE SALTS AND USES THEREOF AMGEN INC. 2016-10-20 US disclosed
US-20160304504-A1 CRYSTALLINE FORMS OF N-(4-((3-(2-AMINO-4-PYRIMIDINYL)-2-PYRIDINYL)OXY)PHENYL)-4-(4-METHYL -2-THIENYL)-1-PHTHALAZINAMINE SALTS AND USES THEREOF AMGEN INC. 2016-10-20 US disclosed
EP-3077392-A1 CRYSTALLINE FORMS OF N-(4-((3-(2-AMINO-4-PYRIMIDINYL) - 2-PYRIDINYL)OXY)PHENYL)-4-(4-METHYL-2-THIENYL)-1 -PHTHALAZINAMINE PHARMACEUTICALLY ACCEPTABLE SALTS AND USES THEREOF Amgen Inc. (US) 2016-10-12 EP disclosed
US-20160213669-A1 USE OF N-(4-((3-(2-AMINO-4-PYRIMIDINYL)-2-PYRIDINYL)OXY)PHENYL)-4-(4-METHYL-2-THIENYL)-1-PHTHALAZINAMINE IN COMBINATION WITH HISTONE DEACETYLASE INHIBITORS FOR TREATMENT OF CANCER NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2016-07-28 US disclosed
US-9242961-B2 Aurora kinase modulators and method of use AMGEN INC. (US) 2016-01-26 US disclosed
EP-1984353-B1 AURORA KINASE MODULATORS AND METHOD OF USE AMGEN INC (US) 2015-12-30 EP disclosed
WO-2015084649-A1 CRYSTALLINE FORMS OF N-(4-((3-(2-AMINO-4-PYRIMIDINYL) - 2-PYRIDINYL)OXY)PHENYL)-4-(4-METHYL-2-THIENYL)-1 -PHTHALAZINAMINE PHARMACEUTICALLY ACCEPTABLE SALTS AND USES THEREOF AMGEN INC. (US) 2015-06-11 WO disclosed
WO-2015084649-A1 CRYSTALLINE FORMS OF N-(4-((3-(2-AMINO-4-PYRIMIDINYL) - 2-PYRIDINYL)OXY)PHENYL)-4-(4-METHYL-2-THIENYL)-1 -PHTHALAZINAMINE PHARMACEUTICALLY ACCEPTABLE SALTS AND USES THEREOF AMGEN INC. (US) 2015-06-11 WO disclosed
US-20090163501-A1 Aurora kinase modulators and method of use AMGEN INC. (US) 2009-06-25 US disclosed
EP-1984353-A1 AURORA KINASE MODULATORS AND METHOD OF USE Amgen, Inc (US) 2008-10-29 EP disclosed
US-20070185111-A1 Aurora kinase modulators and method of use AMGEN INC. 2007-08-09 US disclosed
WO-2007087276-A1 AURORA KINASE MODULATORS AND METHOD OF USE AMGEN INC. (US) 2007-08-02 WO disclosed
EP-1751136-A2 NITROGENATED HETEROCYCLIC DERIVATIVES AS PROTEIN KINASE MODULATORS AND USE FOR THE TREATMENT OF ANGIOGENESIS AND CANCER AMGEN INC. (US) 2007-02-14 EP disclosed
US-7151096-B2 Cyclic compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2006-12-19 US disclosed
US-20060009453-A1 Protein kinase modulators and method of use AMGEN INC. 2006-01-12 US disclosed
WO-2005113494-A2 NITROGENATED HETEROCYCLIC DERIVATIVES AS PROTEIN KINASE MODULATORS AND USE FOR THE TREATMENT OF ANGIOGENESIS AND CANCER AMGEN INC. (US) 2005-12-01 WO disclosed
US-20040235841-A1 Cyclic compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2004-11-25 US disclosed
WO-2004078682-A2 CYCLIC COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2004-09-16 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 (7 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-20070185111-A1 Aurora kinase modulators and method of use AURKC, AURKA, CDK1 SMN1; SMN2 3987/4885LMNA 637/4885MAPT 1958/4885
US-20160213669-A1 USE OF N-(4-((3-(2-AMINO-4-PYRIMIDINYL)-2-PYRIDINYL)OXY)PHENYL)-4-(4-METHYL-2-THIENYL)-1-PHTHALAZINAMINE IN COMBINATION WITH HISTONE DEACETYLASE INHIBITORS FOR TREATMENT OF CANCER HDAC4, HDAC9, HDAC5 SMN1; SMN2 3612/4885LMNA 2181/4885MAPT 1123/4885
US-20160304504-A1 CRYSTALLINE FORMS OF N-(4-((3-(2-AMINO-4-PYRIMIDINYL)-2-PYRIDINYL)OXY)PHENYL)-4-(4-METHYL -2-THIENYL)-1-PHTHALAZINAMINE SALTS AND USES THEREOF BCL9, NPM1, MLLT3 SMN1; SMN2 1415/4885LMNA 1963/4885MAPT 316/4885
US-10053452-B2 Crystalline forms of N-(4-((3-(2-amino-4-pyrimidinyl)-2-pyridinyl)oxy)phenyl)-4-(4-methyl-2-thienyl)-1-phthalazinamine salts and uses thereof BCL9, NPM1, MLLT3 SMN1; SMN2 1415/4885LMNA 1963/4885MAPT 316/4885
US-20060009453-A1 Protein kinase modulators and method of use PHKG1, PRKCH, BMP2K SMN1; SMN2 3934/4885LMNA 3974/4885MAPT 1999/4885
US-20040235841-A1 Cyclic compounds and compositions as protein kinase inhibitors CDK2, CDK5, CDK1 SMN1; SMN2 2169/4885LMNA 1142/4885MAPT 1064/4885
US-20090163501-A1 Aurora kinase modulators and method of use AURKC, AURKA, AURKB SMN1; SMN2 3923/4885LMNA 620/4885MAPT 2283/4885

“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.