SCHEMBL503945

SCHEMBL503945

Nc1ccc(Oc2ncccc2-c2ccnc(N)n2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 4/20 0.51
AURKB Q96GD4 3/20 0.51
ULK1 O75385 1/20 0.51
RPS6KA5 O75582 1/20 0.51
RPS6KA4 O75676 1/20 0.51
PRKD3 O94806 1/20 0.51
ABL1 P00519 1/20 0.51
FES P07332 1/20 0.51
RET P07949 1/20 0.51
BCR P11274 1/20 0.51
BRAF P15056 1/20 0.51
NQO2 P16083 1/20 0.51
MAP2K2 P36507 1/20 0.51
MAPKAPK2 P49137 1/20 0.51
CLK1 P49759 1/20 0.51
CLK2 P49760 1/20 0.51
CLK3 P49761 1/20 0.51
MAP2K1 Q02750 1/20 0.51
TOP2B Q02880 1/20 0.51
PRKCD Q05655 1/20 0.51

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
SCHEMBL4718101 0.86 MEN1 (0.44) AURKAAURKBULK1RPS6KA5RPS6KA4
SCHEMBL580385 0.83 TEK (0.60) AURKAAURKBTPX2TEK
SCHEMBL581233 0.83 AURKB (0.41) AURKAAURKBULK1RPS6KA5RPS6KA4
SCHEMBL29889747 0.82 GSK3B (0.48) AURKAAURKBULK1RPS6KA5RPS6KA4
SCHEMBL25071793 0.82 AURKA (0.44) AURKAAURKBULK1RPS6KA5RPS6KA4
SCHEMBL580394 0.81 NCOA1 (0.54) AURKACLK1MEN1APAF1KMT2A
SCHEMBL7898425 0.80 PDE10A (0.56) MEN1APAF1KMT2ATEKPDE10A
SCHEMBL3605886 0.79 HRH4 (0.54) AURKACLK1PDPK1CCNT1CCNA2
SCHEMBL580691 0.77 AURKA (0.60) AURKAAURKBULK1RPS6KA5RPS6KA4
SCHEMBL17460752 0.77 AURKA (0.72) AURKAAURKBULK1RPS6KA5RPS6KA4

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 68 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
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-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-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
US-20090163501-A1 Aurora kinase modulators and method of use AMGEN INC. (US) 2009-06-25 US disclosed
US-20090163501-A1 Aurora kinase modulators and method of use AMGEN INC. (US) 2009-06-25 US disclosed
US-20090163501-A1 Aurora kinase modulators and method of use AMGEN INC. (US) 2009-06-25 US disclosed
EP-1994030-A1 MULTI-CYCLIC COMPOUNDS AND METHOD OF USE Amgen Inc. (US) 2008-11-26 EP disclosed
EP-1984353-A1 AURORA KINASE MODULATORS AND METHOD OF USE Amgen, Inc (US) 2008-10-29 EP disclosed
US-20070213325-A1 Multi-cyclic compound and method of use AMGEN INC. (US) 2007-09-13 US disclosed
WO-2007100646-A1 MULTI-CYCLIC COMPOUNDS AND METHOD OF USE AMGEN INC. (US) 2007-09-07 WO 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
WO-2007087276-A1 AURORA KINASE MODULATORS AND METHOD OF USE AMGEN INC. (US) 2007-08-02 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 (6 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 AURKA 2/4885AURKB 4/4885ULK1 467/4885
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 AURKA 4/4885AURKB 14/4885ULK1 685/4885
US-20070213325-A1 Multi-cyclic compound and method of use TIE1, CDK1, CCNB1 AURKA 16/4885AURKB 21/4885ULK1 610/4885
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 AURKA 115/4885AURKB 682/4885ULK1 1282/4885
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 AURKA 115/4885AURKB 682/4885ULK1 1282/4885
US-20090163501-A1 Aurora kinase modulators and method of use AURKC, AURKA, AURKB AURKA 2/4885AURKB 3/4885ULK1 572/4885

“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.