SCHEMBL3454560

SCHEMBL3454560

O=S(=O)(CCN1CCCC1)c1cccc(Nc2ncccn2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 6/20 0.52
MTOR P42345 2/20 0.44
SMG1 Q96Q15 2/20 0.44
CDK1 P06493 1/20 0.44
CDK2 P24941 1/20 0.44
EPHX2 P34913 1/20 0.43
JAK2 O60674 4/20 0.42
JAK3 P52333 4/20 0.42
BRD4 O60885 2/20 0.42
SYK P43405 2/20 0.42
BMPR1B O00238 1/20 0.42
PLK4 O00444 1/20 0.42
STK25 O00506 1/20 0.42
CIT O14578 1/20 0.42
RIOK3 O14730 1/20 0.42
CHEK1 O14757 1/20 0.42
IKBKB O14920 1/20 0.42
CASK O14936 1/20 0.42
AURKA O14965 1/20 0.42
GAK O14976 1/20 0.42

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
SCHEMBL4878183 0.90 MEN1 (0.57) SRCMTORSMG1CDK1CDK2
SCHEMBL3459265 0.79 JAK2 (0.52) SRCMTORSMG1CDK1CDK2
SCHEMBL14024423 0.78 JAK3 (0.49) SRCCDK2JAK2JAK3SYK
SCHEMBL30023485 0.76 FEN1 (0.44) MTORSMG1CDK1CDK2SYK
SCHEMBL14024530 0.76 KDR (0.59) SRCJAK2JAK3BRD4SYK
SCHEMBL2877375 0.74 MEN1 (0.71) EPHX2MEN1KMT2AALDH1A1POLB
SCHEMBL4880015 0.73 AIMP2 (0.57) SRCYES1PDGFRBAXLHRH3
SCHEMBL13091569 0.72 MEN1 (0.49) KCNH2HRH3MEN1KMT2AALDH1A1
SCHEMBL14476103 0.72 MEN1 (0.73) SLC6A3MEN1KMT2AALDH1A1POLB
SCHEMBL30557958 0.71 ROCK1 (0.61) SRCMTORSMG1CDK1CDK2

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 4 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
EP-2154967-A1 PYRIMIDINE DERIVATIVES Hutchison Medipharma Enterprises Limited (BS) 2010-02-24 EP 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

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 SRC 4249/4885MTOR 1373/4885SMG1 1817/4885

“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.