SCHEMBL14045699

SCHEMBL14045699

CC1Cc2cc(Nc3ccnc(Nc4cccc(O[C@@H]5CCN(S(C)(=O)=O)C5)c4)n3)ccc2N1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.43
PDE4B Q07343 1/20 0.43
PDE4C Q08493 1/20 0.43
PDE4D Q08499 1/20 0.43
KDR P35968 2/20 0.42
EGFR P00533 3/20 0.42
JAK2 O60674 5/20 0.42
JAK3 P52333 4/20 0.42
EPHB4 P54760 2/20 0.37
CDK2 P24941 2/20 0.37
AURKA O14965 1/20 0.37
IGF1R P08069 2/20 0.37
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
TNNI3K Q59H18 1/20 0.36
SRC P12931 1/20 0.36
CCNA2 P20248 1/20 0.35
CCNA1 P78396 1/20 0.35

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
SCHEMBL14760658 0.82 KDR (0.46) PDE4APDE4BPDE4CPDE4DKDR
SCHEMBL14024398 0.82 KDR (0.46) PDE4APDE4BPDE4CPDE4DKDR
SCHEMBL14024404 0.82 KDR (0.46) PDE4APDE4BPDE4CPDE4DKDR
SCHEMBL4874489 0.78 KDR (0.47) PDE4APDE4BPDE4CPDE4DKDR
SCHEMBL14045611 0.77 AURKA (0.56) KDREGFRJAK2JAK3CDK2
SCHEMBL4883637 0.74 PDE4A (0.49) PDE4APDE4BPDE4CPDE4DEGFR
SCHEMBL14048170 0.72 NPC1 (0.53) AURKA
SCHEMBL14024508 0.72 KDR (0.56) PDE4APDE4BPDE4CPDE4DKDR
SCHEMBL14760634 0.72 KDR (0.56) PDE4APDE4BPDE4CPDE4DKDR
SCHEMBL14024507 0.72 KDR (0.56) PDE4APDE4BPDE4CPDE4DKDR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8349859-B2 Pyrimidine derivatives HUTCHISON MEDIPHARMA ENTERPRISES LIMITED (BS) 2013-01-08 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 (1 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 PDE4A 1079/4885PDE4B 1028/4885PDE4C 1587/4885

“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.