SCHEMBL4875676

SCHEMBL4875676

COc1cccc(Nc2nccc(Oc3ccc4[nH]c(C)cc4c3)n2)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 8/20 0.63
FLT1 P17948 2/20 0.63
FLT4 P35916 2/20 0.63
FGFR1 P11362 1/20 0.63
FLT3 P36888 1/20 0.63
MERTK Q12866 1/20 0.63
NTRK2 Q16620 1/20 0.63
SYK P43405 2/20 0.59
EGFR P00533 1/20 0.54
PIK3CG P48736 5/20 0.53
PIK3CA P42336 4/20 0.53
PIK3CB P42338 4/20 0.53
AXL P30530 1/20 0.51
CDK4 P11802 1/20 0.47
CDK2 P24941 1/20 0.47
GSK3B P49841 1/20 0.47
DYRK1A Q13627 1/20 0.47
IGF1R P08069 1/20 0.45
MET P08581 1/20 0.45
EIF2AK2 P19525 1/20 0.45

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
SCHEMBL4874714 0.89 SYK (0.61) KDRFLT1FLT4FGFR1FLT3
SCHEMBL14024536 0.89 KDR (0.61) KDRFLT1FLT4FGFR1FLT3
SCHEMBL14024454 0.88 KDR (0.62) KDRFLT1FLT4FGFR1FLT3
SCHEMBL14024746 0.88 KDR (0.63) KDRFLT1FLT4FGFR1FLT3
SCHEMBL14024457 0.88 KDR (0.61) KDRFLT1FLT4FGFR1FLT3
SCHEMBL14024558 0.88 KDR (0.66) KDRFLT1FLT4FGFR1FLT3
SCHEMBL14024562 0.88 KDR (0.61) KDRFLT1FLT4FGFR1FLT3
SCHEMBL14024462 0.86 KDR (0.71) KDRFLT1FLT4FGFR1FLT3
SCHEMBL14024578 0.86 KDR (0.54) KDRFLT1FLT4FGFR1FLT3
SCHEMBL4878601 0.85 KDR (0.58) KDRFLT1FLT4FGFR1FLT3

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
EP-2154967-B9 PYRIMIDINE DERIVATIVES HUTCHISON MEDIPHARMA ENTPR LTD (BS) 2014-07-23 EP claimed
EP-2154967-B1 PYRIMIDINE DERIVATIVES HUTCHISON MEDIPHARMA ENTPR LTD (BS) 2014-03-05 EP claimed
US-8901143-B2 Pyrimidine derivatives HUTCHISON MEDIPHARMA ENTERPRISES LIMITED (BS) 2014-12-02 US disclosed
US-8901143-B2 Pyrimidine derivatives HUTCHISON MEDIPHARMA ENTERPRISES LIMITED (BS) 2014-12-02 US disclosed
EP-2154967-B9 PYRIMIDINE DERIVATIVES HUTCHISON MEDIPHARMA ENTPR LTD (BS) 2014-07-23 EP disclosed
EP-2154967-B9 PYRIMIDINE DERIVATIVES HUTCHISON MEDIPHARMA ENTPR LTD (BS) 2014-07-23 EP disclosed
EP-2154967-B1 PYRIMIDINE DERIVATIVES HUTCHISON MEDIPHARMA ENTPR LTD (BS) 2014-03-05 EP disclosed
EP-2154967-B1 PYRIMIDINE DERIVATIVES HUTCHISON MEDIPHARMA ENTPR LTD (BS) 2014-03-05 EP disclosed
US-20130065890-A1 PYRIMIDINE DERIVATIVES HUTCHISON MEDIPHARMA ENTERPRISES LIMITED 2013-03-14 US disclosed
US-20130065890-A1 PYRIMIDINE DERIVATIVES HUTCHISON MEDIPHARMA ENTERPRISES LIMITED 2013-03-14 US disclosed
US-8349859-B2 Pyrimidine derivatives HUTCHISON MEDIPHARMA ENTERPRISES LIMITED (BS) 2013-01-08 US disclosed
WO-2008128231-A1 PYRIMIDINE DERIVATIVES HUTCHISON MEDIPHARMA ENTERPRISES LIMITED (BS) 2008-10-23 WO disclosed
US-20080255172-A1 N4-(2-methyl-1H-indol-5-yl)-N2-phenylpyrimidine-2,4-diamine; angiogenesis related disorder like cancer or age-related macular degeneration HUTCHISON MEDIPHARMA ENTERPRISES LIMETED (BS) 2008-10-16 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-20080255172-A1 N4-(2-methyl-1H-indol-5-yl)-N2-phenylpyrimidine-2,4-diamine; angiogenesis related disorder like cancer or age-related macular degeneration CCND2, KDR, FLT4 KDR 2/4885FLT1 4/4885FLT4 3/4885
US-20130065890-A1 PYRIMIDINE DERIVATIVES TYMS, KDR, FLT4 KDR 2/4885FLT1 7/4885FLT4 3/4885

“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.