SCHEMBL4880015

SCHEMBL4880015

c1cnc(Nc2cccc(OCCN3CCCC3)c2)nc1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AIMP2 Q13155 1/20 0.57
CHRNB2 P17787 1/20 0.57
CHRNA4 P43681 1/20 0.57
SRC P12931 3/20 0.57
YES1 P07947 1/20 0.57
LTA4H P09960 4/20 0.56
KDM4E B2RXH2 3/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
ALDH1A1 P00352 1/20 0.54
BACE1 P56817 1/20 0.54
HRH3 Q9Y5N1 1/20 0.49
AXL P30530 1/20 0.49
HTT P42858 2/20 0.49
POLB P06746 1/20 0.49
GAA P10253 1/20 0.49
PTGS2 P35354 1/20 0.49
LMNA P02545 1/20 0.49
MAPK1 P28482 1/20 0.49
PDGFRB P09619 1/20 0.48

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
SCHEMBL3459344 0.89 SRC (0.59) AIMP2SRCKDM4EALDH1A1HTT
SCHEMBL4878754 0.89 AIMP2 (0.54) AIMP2CHRNB2CHRNA4SRCYES1
SCHEMBL12190209 0.88 SRC (0.56) AIMP2CHRNB2CHRNA4SRCYES1
SCHEMBL3458766 0.87 AIMP2 (0.58) AIMP2CHRNB2CHRNA4SRCYES1
SCHEMBL4254804 0.85 AXL (0.64) CHRNB2CHRNA4SRCLTA4HBACE1
SCHEMBL4870283 0.85 SRC (0.51) AIMP2CHRNB2CHRNA4SRCYES1
SCHEMBL2498311 0.84 POLB (0.53) CHRNB2CHRNA4SRCYES1LTA4H
SCHEMBL2498319 0.83 SRC (0.49) AIMP2CHRNB2CHRNA4SRCYES1
SCHEMBL3458627 0.83 EPHX2 (0.64) KDM4EALDH1A1HTT
SCHEMBL3458886 0.83 EPHX2 (0.51) AIMP2SRCKDM4EHRH3PDGFRB

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 AIMP2 439/4885CHRNB2 4061/4885CHRNA4 3688/4885

“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.