SCHEMBL503736

SCHEMBL503736

Nc1nccc(-c2cccnc2Cl)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK5 Q00535 6/20 0.53
CDK5R1 Q15078 6/20 0.53
CDK2 P24941 4/20 0.53
CDK9 P50750 4/20 0.53
CCNT1 O60563 3/20 0.53
CCNA2 P20248 3/20 0.53
CCNA1 P78396 3/20 0.53
PDPK1 O15530 2/20 0.53
HSP90AA1 P07900 3/20 0.50
PRKACA P17612 2/20 0.50
AURKA O14965 1/20 0.50
ADORA2A P29274 1/20 0.50
DYRK1A Q13627 5/20 0.49
HSP90AB1 P08238 1/20 0.49
PTK2 Q05397 1/20 0.49
KMO O15229 1/20 0.47
CDC7 O00311 2/20 0.47
GSK3B P49841 4/20 0.46
CLK1 P49759 3/20 0.46
MAP3K14 Q99558 2/20 0.46

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
SCHEMBL446754 0.81 NPC1 (0.41) HSP90AA1KMOKDM4ENPC1RAB9A
SCHEMBL1914955 0.80 HSP90AA1 (0.59) CDK5CDK5R1CDK2CDK9CCNT1
SCHEMBL10915242 0.79 CDK5 (0.53) CDK5CDK5R1CDK2CDK9CCNT1
SCHEMBL21908761 0.79 CDK5 (0.53) CDK5CDK5R1CDK2CDK9CCNT1
SCHEMBL29889857 0.79 CDK5 (0.53) CDK5CDK5R1CDK2CDK9CCNT1
SCHEMBL28295771 0.79 ASIC3 (0.44) CDK2HSP90AA1CDC7KDM4EALDH1A1
SCHEMBL1265327 0.78 DPP4 (0.40) CDK5CDK5R1CDK2CDK9CCNT1
SCHEMBL30046927 0.76 HSP90AA1 (0.60) CDK5CDK5R1CDK2CDK9CCNT1
SCHEMBL18130895 0.76 HSP90AA1 (0.60) CDK5CDK5R1CDK2CDK9CCNT1
SCHEMBL6530231 0.75 FGFR2 (0.52) CDK2CDC7KDM4ENPC1RAB9A

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 80 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-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
US-20070185111-A1 Aurora kinase modulators and method of use AMGEN INC. 2007-08-09 US 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
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-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

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 CDK5 49/4885CDK5R1 51/4885CDK2 6/4885
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 CDK5 346/4885CDK5R1 480/4885CDK2 269/4885
US-20070213325-A1 Multi-cyclic compound and method of use TIE1, CDK1, CCNB1 CDK5 55/4885CDK5R1 89/4885CDK2 4/4885
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 CDK5 902/4885CDK5R1 2111/4885CDK2 461/4885
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 CDK5 902/4885CDK5R1 2111/4885CDK2 461/4885
US-20060009453-A1 Protein kinase modulators and method of use PHKG1, PRKCH, BMP2K CDK5 9/4885CDK5R1 36/4885CDK2 11/4885

“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.