SCHEMBL5523019

SCHEMBL5523019

Cc1cc(Oc2ccc(Nc3cc(-c4ccc(F)cc4)nc(N)n3)cc2)ccn1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AGPAT2 O15120 4/20 0.47
SCN9A Q15858 5/20 0.46
KCNH2 Q12809 3/20 0.46
SCN5A Q14524 2/20 0.46
RAB9A P51151 1/20 0.46
ROCK2 O75116 6/20 0.45
CYP3A4 P08684 2/20 0.45
ROCK1 Q13464 1/20 0.44
TGFBR1 P36897 1/20 0.42
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
MAPT P10636 1/20 0.42
THRB P10828 1/20 0.42
FPR2 P25090 1/20 0.40

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
SCHEMBL5517090 0.92 RAB9A (0.47) AGPAT2SCN9AKCNH2SCN5ARAB9A
SCHEMBL13414064 0.91 AGPAT2 (0.53) AGPAT2SCN9AKCNH2SCN5ARAB9A
SCHEMBL1643595 0.91 RAB9A (0.58) AGPAT2SCN9AKCNH2RAB9AROCK2
SCHEMBL1644553 0.90 AGPAT2 (0.47) AGPAT2SCN9AKCNH2SCN5ARAB9A
SCHEMBL12727976 0.89 AGPAT2 (0.57) AGPAT2SCN9AKCNH2RAB9AROCK2
SCHEMBL13414066 0.89 KCNH2 (0.49) AGPAT2SCN9AKCNH2SCN5ARAB9A
SCHEMBL5522689 0.89 AGPAT2 (0.44) AGPAT2SCN9AKCNH2SCN5ARAB9A
SCHEMBL3140666 0.88 SCN9A (0.50) AGPAT2SCN9AKCNH2SCN5ARAB9A
SCHEMBL5513807 0.88 RAB9A (0.44) AGPAT2SCN9AKCNH2RAB9AROCK2
SCHEMBL12728075 0.88 RAB9A (0.46) AGPAT2SCN9AKCNH2SCN5ARAB9A

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 10 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-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-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 3749/4885SCN9A 4682/4885KCNH2 3838/4885
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 2410/4885SCN9A 4176/4885KCNH2 1502/4885
US-20050277640-A1 Pyrimidine derivatives for treatment of hyperproliferative disorders TYMP, DPYD, CCNA2 AGPAT2 3749/4885SCN9A 4682/4885KCNH2 3838/4885

“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.