SCHEMBL3115406

SCHEMBL3115406

Cc1cccc(-c2cc(Nc3ccc(Oc4ccnc(C#N)c4)cc3)nc(N)n2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGPAT2 O15120 4/20 0.43
KCNH2 Q12809 3/20 0.40
SCN9A Q15858 3/20 0.40
RAB9A P51151 2/20 0.39
TTBK1 Q5TCY1 1/20 0.39
TTBK2 Q6IQ55 1/20 0.39
ROCK2 O75116 2/20 0.39
CYP3A4 P08684 1/20 0.39
SCN5A Q14524 2/20 0.39
KMT2A Q03164 2/20 0.38
TP53 P04637 2/20 0.38
MAPT P10636 2/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
CDK5 Q00535 1/20 0.38
CDK5R1 Q15078 1/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL3123801 0.90 MEN1 (0.46) AGPAT2KCNH2SCN9ARAB9AROCK2
SCHEMBL3117071 0.90 MAPT (0.46) AGPAT2KCNH2SCN9ARAB9ATTBK1
SCHEMBL3121109 0.89 SCN9A (0.45) AGPAT2KCNH2SCN9ARAB9AROCK2
SCHEMBL1644554 0.89 AGPAT2 (0.55) AGPAT2KCNH2SCN9ASCN5AKMT2A
SCHEMBL13414014 0.89 AGPAT2 (0.43) AGPAT2KCNH2SCN9AROCK2SCN5A
SCHEMBL3112996 0.89 AGPAT2 (0.43) AGPAT2KCNH2SCN9AROCK2CYP3A4
SCHEMBL3117404 0.88 SCN9A (0.41) AGPAT2KCNH2SCN9ARAB9AROCK2
SCHEMBL3123793 0.86 IKBKB (0.41) AGPAT2KCNH2SCN9AROCK2SCN5A
SCHEMBL3121756 0.86 TTBK1 (0.47) AGPAT2KCNH2SCN9ATTBK1TTBK2
SCHEMBL3123946 0.86 ROCK2 (0.51) AGPAT2KCNH2SCN9AROCK2SCN5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
US-20050277640-A1 Pyrimidine derivatives for treatment of hyperproliferative disorders BAYER PHARMACEUTICALS CORPORATION (US) 2005-12-15 US 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 (3 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 AGPAT2 3749/4885KCNH2 3838/4885SCN9A 4682/4885
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 AGPAT2 2410/4885KCNH2 1502/4885SCN9A 4176/4885
US-20050277640-A1 Pyrimidine derivatives for treatment of hyperproliferative disorders TYMP, DPYD, CCNA2 AGPAT2 3749/4885KCNH2 3838/4885SCN9A 4682/4885

“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.