SCHEMBL3459344

SCHEMBL3459344

c1cnc(Nc2cccc(OCCN3CCOCC3)c2)nc1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.59
SYK P43405 2/20 0.58
EPHX2 P34913 7/20 0.57
EGFR P00533 1/20 0.55
BTK Q06187 1/20 0.55
AIMP2 Q13155 2/20 0.55
KDM4E B2RXH2 3/20 0.53
TP53 P04637 1/20 0.53
TSHR P16473 1/20 0.53
ALDH1A1 P00352 2/20 0.51
HTT P42858 1/20 0.51

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
SCHEMBL3458627 0.94 EPHX2 (0.64) EPHX2EGFRKDM4EALDH1A1HTT
SCHEMBL14578174 0.90 EPHX2 (0.61) SRCSYKEPHX2KDM4ETP53
SCHEMBL4880015 0.89 AIMP2 (0.57) SRCAIMP2KDM4EALDH1A1HTT
SCHEMBL3459161 0.88 SRC (0.57) SRCSYKEPHX2EGFRBTK
SCHEMBL4209736 0.87 EPHX2 (0.54) SRCSYKEPHX2EGFRBTK
SCHEMBL4878754 0.85 AIMP2 (0.54) SRCSYKEPHX2EGFRBTK
SCHEMBL7464926 0.84 AIMP2 (0.58) SRCSYKEPHX2EGFRBTK
SCHEMBL14621966 0.82 EPHX2 (0.59) EPHX2KDM4ETP53TSHRALDH1A1
SCHEMBL13924596 0.82 SYK (0.62) SRCSYKEGFRBTKAIMP2
SCHEMBL12837450 0.80 ALDH1A1 (0.60) EPHX2KDM4ETP53TSHRALDH1A1

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 4249/4885SYK 2248/4885EPHX2 3455/4885

“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.