SCHEMBL4875875

SCHEMBL4875875

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

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 1/20 0.58
EIF2AK2 P19525 2/20 0.54
KDR P35968 5/20 0.54
SYK P43405 2/20 0.53
HTR3E A5X5Y0 1/20 0.51
HTR3B O95264 1/20 0.51
HTR3A P46098 1/20 0.51
ROCK1 Q13464 1/20 0.51
HTR3D Q70Z44 1/20 0.51
HTR3C Q8WXA8 1/20 0.51
CDK4 P11802 2/20 0.51
CDK2 P24941 2/20 0.51
MAOA P21397 1/20 0.49
MAOB P27338 1/20 0.49
EGFR P00533 1/20 0.49
EPHB4 P54760 1/20 0.48
AURKA O14965 2/20 0.47
AURKB Q96GD4 1/20 0.47

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
SCHEMBL14024356 0.90 KDR (0.66) IGF1REIF2AK2KDRSYKCDK4
SCHEMBL849257 0.89 SYK (0.62) IGF1RKDRSYKEGFRAURKA
SCHEMBL3459130 0.89 AURKA (0.61) IGF1RKDRSYKCDK2EGFR
SCHEMBL4880413 0.87 KDR (0.64) KDRSYKCDK2EGFRAURKA
SCHEMBL4881594 0.87 KDR (0.54) KDRSYKCDK4CDK2EGFR
SCHEMBL3458526 0.87 SYK (0.69) IGF1RKDRSYKROCK1CDK4
SCHEMBL14024366 0.86 KDR (0.54) IGF1RKDRSYKAURKAAURKB
SCHEMBL14024350 0.85 SYK (0.51) KDRSYKCDK2EGFRAURKA
SCHEMBL15494984 0.85 SYK (0.51) KDRSYKCDK2EGFREPHB4
SCHEMBL3458531 0.85 EGFR (0.72) IGF1RKDRSYKROCK1EGFR

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 IGF1R 163/4885EIF2AK2 1073/4885KDR 2/4885
US-20130065890-A1 PYRIMIDINE DERIVATIVES TYMS, KDR, FLT4 IGF1R 979/4885EIF2AK2 875/4885KDR 2/4885

“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.