SCHEMBL5518319

SCHEMBL5518319

Cc1cc(Oc2ccc(Nc3cc(-c4ccccc4C)nc(N)n3)cc2)ccn1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AGPAT2 O15120 13/20 0.51
RAB9A P51151 1/20 0.46
KCNH2 Q12809 1/20 0.44
SCN9A Q15858 1/20 0.44
CYP1A2 P05177 3/20 0.43
CYP2D6 P10635 3/20 0.43
CYP3A4 P08684 2/20 0.43
MAPK1 P28482 2/20 0.43
CYP2C19 P33261 2/20 0.43
ALDH1A1 P00352 1/20 0.43
TSHR P16473 1/20 0.43
CLK4 Q9HAZ1 1/20 0.43
HPGD P15428 1/20 0.42
NUDT1 P36639 1/20 0.42
PDE10A Q9Y233 1/20 0.41

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
SCHEMBL5514055 0.92 AGPAT2 (0.46) AGPAT2RAB9AKCNH2SCN9ACYP1A2
SCHEMBL3123017 0.88 AGPAT2 (0.47) AGPAT2RAB9AKCNH2SCN9ACYP1A2
SCHEMBL13413981 0.88 AGPAT2 (0.47) AGPAT2RAB9AKCNH2SCN9ACYP1A2
SCHEMBL12727976 0.87 AGPAT2 (0.57) AGPAT2RAB9AKCNH2SCN9ACYP1A2
SCHEMBL3241054 0.87 AGPAT2 (0.51) AGPAT2RAB9AKCNH2SCN9ACYP1A2
SCHEMBL3123245 0.86 RAF1 (0.47) AGPAT2
SCHEMBL13414064 0.86 AGPAT2 (0.53) AGPAT2RAB9AKCNH2SCN9ACYP1A2
SCHEMBL3125973 0.86 AGPAT2 (0.43) AGPAT2RAB9AKCNH2SCN9ACYP1A2
SCHEMBL3140600 0.83 RAB9A (0.46) AGPAT2RAB9AKCNH2SCN9ACYP1A2
SCHEMBL5517090 0.83 RAB9A (0.47) AGPAT2RAB9AKCNH2SCN9ACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (2 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-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 2410/4885RAB9A 3476/4885KCNH2 1502/4885
US-20050277640-A1 Pyrimidine derivatives for treatment of hyperproliferative disorders TYMP, DPYD, CCNA2 AGPAT2 3749/4885RAB9A 2850/4885KCNH2 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.