SCHEMBL1643582

SCHEMBL1643582

Nc1nc(Cl)cc(-c2ccc(C(F)(F)F)cc2)n1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.62
HSP90AA1 P07900 4/20 0.62
HSP90AB1 P08238 4/20 0.62
HSD17B10 Q99714 2/20 0.58
ALDH1A1 P00352 2/20 0.58
PTGS2 P35354 1/20 0.46
CASP1 P29466 1/20 0.44
HRH4 Q9H3N8 1/20 0.44
KIF11 P52732 1/20 0.44
AGPAT2 O15120 1/20 0.44
LTA4H P09960 1/20 0.43
HEXA P06865 1/20 0.43
HEXB P07686 1/20 0.43
ADORA2A P29274 1/20 0.43
ADORA1 P30542 1/20 0.43
GAA P10253 1/20 0.43
THRB P10828 1/20 0.43
HPGD P15428 1/20 0.43
TOP1 P11387 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
SCHEMBL1011410 0.83 HSP90AA1 (0.62) KDM4EHSP90AA1HSP90AB1HSD17B10ALDH1A1
SCHEMBL28879162 0.83 ADORA3 (0.52) KDM4EHSP90AA1HSP90AB1HSD17B10ALDH1A1
SCHEMBL4619849 0.83 ALDH1A1 (0.46) KDM4EHSP90AA1HSP90AB1HSD17B10ALDH1A1
SCHEMBL2848055 0.81 RAD51 (0.48) KDM4EHSD17B10ALDH1A1CASP1KIF11
SCHEMBL1644353 0.81 HSP90AA1 (0.68) KDM4EHSP90AA1HSP90AB1HSD17B10ALDH1A1
SCHEMBL3951575 0.80 HSP90AB1 (0.72) KDM4EHSP90AA1HSP90AB1HSD17B10ALDH1A1
SCHEMBL14413753 0.80 HSP90AA1 (0.72) KDM4EHSP90AA1HSP90AB1HSD17B10ALDH1A1
SCHEMBL4716132 0.80 RAD51 (0.48) KDM4EHSP90AA1HSP90AB1HSD17B10ALDH1A1
SCHEMBL717689 0.79 HSP90AA1 (0.70) KDM4EHSP90AA1HSP90AB1HSD17B10ALDH1A1
SCHEMBL7228785 0.78 KIF11 (0.52) KDM4EHSP90AA1HSP90AB1HSD17B10ALDH1A1

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110098301-A1 Pyrimidine Derivatives for Treatment of Hyperproliferative Disorders BAYER HEALTHCARE LLC (US) 2011-04-28 US disclosed
US-20110098301-A1 Pyrimidine Derivatives for Treatment of Hyperproliferative Disorders BAYER HEALTHCARE LLC (US) 2011-04-28 US disclosed
US-20100075967-A1 PYRIMIDINE DERIVATIVES FOR TREATMENT OF HYPERPROLIFERATIVE DISORDERS BAYER PHARMACEUTICALS CORPORATION (US) 2010-03-25 US disclosed
US-20100075967-A1 PYRIMIDINE DERIVATIVES FOR TREATMENT OF HYPERPROLIFERATIVE DISORDERS BAYER PHARMACEUTICALS CORPORATION (US) 2010-03-25 US disclosed
US-20100075967-A1 PYRIMIDINE DERIVATIVES FOR TREATMENT OF HYPERPROLIFERATIVE DISORDERS BAYER PHARMACEUTICALS CORPORATION (US) 2010-03-25 US disclosed
US-7678804-B2 Pyrimidine derivatives for treatment of hyperproliferative disorders BAYER HEALTHCARE LLC (US) 2010-03-16 US disclosed
US-7678804-B2 Pyrimidine derivatives for treatment of hyperproliferative disorders BAYER HEALTHCARE LLC (US) 2010-03-16 US disclosed
US-7678804-B2 Pyrimidine derivatives for treatment of hyperproliferative disorders BAYER HEALTHCARE LLC (US) 2010-03-16 US disclosed
US-7582645-B2 Pyrimidine derivatives for treatment of hyperproliferative disorders BAYER PHARMACEUTICALS CORPORATION (US) 2009-09-01 US disclosed
US-7582645-B2 Pyrimidine derivatives for treatment of hyperproliferative disorders BAYER PHARMACEUTICALS CORPORATION (US) 2009-09-01 US disclosed
US-7582645-B2 Pyrimidine derivatives for treatment of hyperproliferative disorders BAYER PHARMACEUTICALS CORPORATION (US) 2009-09-01 US disclosed
EP-1858882-A1 PYRIMIDINE DERIVATIVES FOR TREATMENT OF HYPERPROLIFERATIVE DISORDERS Bayer Pharmaceuticals Corporation (US) 2007-11-28 EP disclosed
US-20070117817-A1 4-{3-[(2-Amino-6-phenylpyrimidin-4-yl)amino]phenoxy}-N-methylpyridine-2-carboxamide;anticarcinogenic agents; breast cancer; antitumor agents; respiratory system disorders; urogenital disorders; gastrointestinal disorders; skin disorders; glandular disorders; lymphomas; leukemia; cytolysis BAYER PHARMACEUTICALS CORPORATION (US) 2007-05-24 US disclosed
US-20070117817-A1 4-{3-[(2-Amino-6-phenylpyrimidin-4-yl)amino]phenoxy}-N-methylpyridine-2-carboxamide;anticarcinogenic agents; breast cancer; antitumor agents; respiratory system disorders; urogenital disorders; gastrointestinal disorders; skin disorders; glandular disorders; lymphomas; leukemia; cytolysis BAYER PHARMACEUTICALS CORPORATION (US) 2007-05-24 US disclosed
US-20070117817-A1 4-{3-[(2-Amino-6-phenylpyrimidin-4-yl)amino]phenoxy}-N-methylpyridine-2-carboxamide;anticarcinogenic agents; breast cancer; antitumor agents; respiratory system disorders; urogenital disorders; gastrointestinal disorders; skin disorders; glandular disorders; lymphomas; leukemia; cytolysis BAYER PHARMACEUTICALS CORPORATION (US) 2007-05-24 US disclosed
WO-2006099231-A1 PYRIMIDINE DERIVATIVES FOR TREATMENT OF HYPERPROLIFERATIVE DISORDERS BAYER PHARMACEUTICALS CORPORATION (US) 2006-09-21 WO disclosed
EP-1689722-A2 4-AMINOPYRIMIDINE DERIVATIVES FOR TREATMENT OF HYPERPROLIFERATIVE DISORDERS Bayer Pharmaceuticals Corporation (US) 2006-08-16 EP disclosed
US-20050277640-A1 Pyrimidine derivatives for treatment of hyperproliferative disorders BAYER PHARMACEUTICALS CORPORATION (US) 2005-12-15 US disclosed
WO-2005035507-A2 4-AMINOPYRIMIDINE DERIVATIVES FOR TREATMENT OF HYPERPROLIFERATIVE DISORDERS BAYER PHARMACEUTICALS CORPORATION (US) 2005-04-21 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 (4 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-20100075967-A1 PYRIMIDINE DERIVATIVES FOR TREATMENT OF HYPERPROLIFERATIVE DISORDERS TYMP, DPYD, CCNA2 KDM4E 2029/4885HSP90AA1 2078/4885HSP90AB1 1787/4885
US-20070117817-A1 4-{3-[(2-Amino-6-phenylpyrimidin-4-yl)amino]phenoxy}-N-methylpyridine-2-carboxamide;anticarcinogenic agents; breast cancer; antitumor agents; respiratory system disorders; urogenital disorders; gastrointestinal disorders; skin disorders; glandular disorders; lymphomas; leukemia; cytolysis CCNA2, MALT1, TPD52L2 KDM4E 1063/4885HSP90AA1 1734/4885HSP90AB1 2137/4885
US-20050277640-A1 Pyrimidine derivatives for treatment of hyperproliferative disorders TYMP, DPYD, CCNA2 KDM4E 2029/4885HSP90AA1 2078/4885HSP90AB1 1787/4885
US-20110098301-A1 Pyrimidine Derivatives for Treatment of Hyperproliferative Disorders DPYD, TYMP, TYMS KDM4E 3375/4885HSP90AA1 2612/4885HSP90AB1 2018/4885

“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.