SCHEMBL13448683

SCHEMBL13448683

COc1cc(-c2cc(Nc3ccc(Oc4ccnc(C#N)c4)cc3)nc(N)n2)ccc1NC(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 5/20 0.39
▸ KDR P35968 2/20 0.39
▸ PIK3CD O00329 1/20 0.39
▸ EGFR P00533 1/20 0.39
▸ PIK3CA P42336 1/20 0.39
▸ PIK3CG P48736 1/20 0.39
▸ BACE1 P56817 1/20 0.39
▸ PRKDC P78527 1/20 0.39
▸ PI4KB Q9UBF8 1/20 0.39
▸ P2RX3 P56373 5/20 0.38
▸ AAK1 Q2M2I8 3/20 0.37
▸ MAPT P10636 2/20 0.36
▸ TP53 P04637 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL3146198 0.90 KMT2A (0.41) KDRP2RX3MAPTTP53HPGD
SCHEMBL13413990 0.86 MAPT (0.41) MAPTTP53HPGDALOX15TSHR
SCHEMBL3140989 0.84 AGPAT2 (0.45) PIK3CGMAPTTP53HPGDALOX15
SCHEMBL3142025 0.83 ADORA2A (0.41) KDRP2RX3MAPTTP53HPGD
SCHEMBL3141970 0.83 AGPAT2 (0.45) MAPTTP53HPGDALOX15TSHR
SCHEMBL13413991 0.83 IKBKB (0.43) MAPTTP53HPGDALOX15TSHR
Trifluoroacetic Acid SCHEMBL3150208 0.83 KDR (0.41) KDRP2RX3MAPTTP53HPGD
SCHEMBL3232538 0.82 P2RX3 (0.39) KDRP2RX3MAPTTP53HPGD
SCHEMBL13414012 0.81 RAB9A (0.49) PIK3CAPIK3CGMAPTTP53HPGD
SCHEMBL3131443 0.79 PIK3CA (0.43) PIK3CDPIK3CAPIK3CGPI4KBP2RX3

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 4 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-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-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

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-20100075967-A1 PYRIMIDINE DERIVATIVES FOR TREATMENT OF HYPERPROLIFERATIVE DISORDERS TYMP, DPYD, CCNA2 ABL1 694/4885KDR 1618/4885PIK3CD 1067/4885
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 ABL1 552/4885KDR 3725/4885PIK3CD 1478/4885

“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.

Send feedback