SCHEMBL4878852

SCHEMBL4878852

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

nearest known ligand 0.71

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AURKA O14965 17/20 0.71
SYK P43405 2/20 0.54
LCK P06239 1/20 0.54
IGF1R P08069 1/20 0.54
EIF2AK2 P19525 1/20 0.54
BMX P51813 1/20 0.54
MAPK8 P45983 1/20 0.53
CTSC P53634 1/20 0.50

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
SCHEMBL26078054 0.92 AURKA (0.71) AURKASYKLCKIGF1REIF2AK2
SCHEMBL849257 0.87 SYK (0.62) AURKASYKIGF1R
SCHEMBL4881594 0.86 KDR (0.54) AURKASYKMAPK8
SCHEMBL3459130 0.86 AURKA (0.61) AURKASYKIGF1R
SCHEMBL14771003 0.85 AURKA (0.49) AURKASYKIGF1R
SCHEMBL4880413 0.84 KDR (0.64) AURKASYK
SCHEMBL3458526 0.84 SYK (0.69) AURKASYKLCKIGF1RBMX
SCHEMBL4875875 0.84 IGF1R (0.58) AURKASYKIGF1REIF2AK2
SCHEMBL14024442 0.83 CA1 (0.48) AURKASYK
SCHEMBL4882766 0.82 KDR (0.66) AURKASYKIGF1REIF2AK2

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 AURKA 537/4885SYK 2248/4885LCK 2386/4885
US-20130065890-A1 PYRIMIDINE DERIVATIVES TYMS, KDR, FLT4 AURKA 1098/4885SYK 2737/4885LCK 2027/4885

“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.