SCHEMBL4883317

SCHEMBL4883317

Cc1cc2cc(Nc3ccnc(Nc4cccc(OCCCN(C)C)c4)n3)ccc2[nH]1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 4/20 0.52
FGFR1 P11362 1/20 0.52
FLT1 P17948 1/20 0.52
FLT4 P35916 1/20 0.52
FLT3 P36888 1/20 0.52
MERTK Q12866 1/20 0.52
NTRK2 Q16620 1/20 0.52
EGFR P00533 1/20 0.51
SYK P43405 6/20 0.49
MAP3K5 Q99683 1/20 0.46
IGF1R P08069 2/20 0.46
CDK4 P11802 2/20 0.44
CDK2 P24941 2/20 0.44
NR4A1 P22736 1/20 0.44
ROCK2 O75116 2/20 0.43
PRKACA P17612 1/20 0.43
PRKCD Q05655 1/20 0.43
ROCK1 Q13464 1/20 0.43
DYRK1A Q13627 1/20 0.43
CDC42BPA Q5VT25 1/20 0.43

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
SCHEMBL14024376 0.95 KDR (0.53) KDRFGFR1FLT1FLT4FLT3
SCHEMBL14024363 0.92 KDR (0.52) KDRFGFR1FLT1FLT4FLT3
SCHEMBL4882475 0.88 KDR (0.55) KDRFGFR1FLT1FLT4FLT3
SCHEMBL14024430 0.88 ROCK2 (0.58) KDRFGFR1FLT1FLT4FLT3
SCHEMBL14024411 0.87 KDR (0.54) KDRFGFR1FLT1FLT4FLT3
SCHEMBL14024377 0.86 KDR (0.51) KDRFGFR1FLT1FLT4FLT3
SCHEMBL14024455 0.86 KDR (0.70) KDRFGFR1FLT1FLT4FLT3
SCHEMBL14024595 0.85 KDR (0.45) KDRFGFR1FLT1FLT4FLT3
SCHEMBL3458531 0.85 EGFR (0.72) KDREGFRSYKIGF1RROCK1
SCHEMBL14024412 0.83 KDR (0.50) KDRFGFR1FLT1FLT4FLT3

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 15 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-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 KDR 2/4885FGFR1 1226/4885FLT1 4/4885
US-20130065890-A1 PYRIMIDINE DERIVATIVES TYMS, KDR, FLT4 KDR 2/4885FGFR1 788/4885FLT1 7/4885

“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.