SCHEMBL4879994

SCHEMBL4879994

Cc1cc2c(F)c(Nc3ccnc(Nc4cccc(F)c4)n3)ccc2[nH]1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 2/20 0.53
MAPK8 P45983 2/20 0.53
DAPK3 O43293 1/20 0.53
JAK2 O60674 1/20 0.53
PRKD3 O94806 1/20 0.53
PIM1 P11309 1/20 0.53
PRKACA P17612 1/20 0.53
FLT3 P36888 1/20 0.53
CSNK1A1 P48729 1/20 0.53
CDK8 P49336 1/20 0.53
CLK2 P49760 1/20 0.53
GSK3A P49840 1/20 0.53
GSK3B P49841 1/20 0.53
CDK9 P50750 1/20 0.53
RPS6KA3 P51812 1/20 0.53
JAK3 P52333 1/20 0.53
CDK5 Q00535 1/20 0.53
MAP4K2 Q12851 1/20 0.53
DYRK1A Q13627 1/20 0.53
MELK Q14680 1/20 0.53

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
SCHEMBL14024755 0.90 SYK (0.58) CDK2MAPK8DAPK3JAK2PRKD3
SCHEMBL4878594 0.90 EIF2AK2 (0.54) CDK2KDRCDK4AURKAEIF2AK2
SCHEMBL14024585 0.90 KDR (0.53) CDK2MAPK8DAPK3JAK2PRKD3
SCHEMBL14045638 0.88 CDK4 (0.48) CDK2GSK3BJAK3DYRK1AKDR
SCHEMBL14771088 0.88 KDR (0.47) CDK2MAPK8DAPK3JAK2PRKD3
SCHEMBL14024586 0.87 EPHB4 (0.61) KDREPHB4SYK
SCHEMBL14024590 0.87 EPHB4 (0.61) CLK4KDREPHB4SYK
SCHEMBL14024591 0.87 EIF2AK2 (0.52) CDK2MAPK8PIM1GSK3BHIPK2
SCHEMBL4884243 0.86 KDR (0.46) CDK2MAPK8PIM1GSK3BHIPK2
SCHEMBL14024639 0.85 KDR (0.59) CDK2FLT3CDK9KDREPHB4

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 17 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
US-8349859-B2 Pyrimidine derivatives HUTCHISON MEDIPHARMA ENTERPRISES LIMITED (BS) 2013-01-08 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
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
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 CDK2 11/4885MAPK8 3426/4885DAPK3 397/4885
US-20130065890-A1 PYRIMIDINE DERIVATIVES TYMS, KDR, FLT4 CDK2 16/4885MAPK8 3700/4885DAPK3 1456/4885

“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.