SCHEMBL463857

SCHEMBL463857

N#Cc1cnc2nc1Nc1ccc(cc1)CN1CCN(CCC(=O)NCCOc3ccc(cc3I)N2)CC1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MERTK Q12866 10/20 0.34
FLT3 P36888 9/20 0.34
TYRO3 Q06418 9/20 0.34
AXL P30530 8/20 0.34
MAP4K1 Q92918 10/20 0.34
MAP4K3 Q8IVH8 6/20 0.33
BCL6 P41182 1/20 0.31
NTRK1 P04629 1/20 0.31
CYP3A4 P08684 1/20 0.31
CLK2 P49760 1/20 0.31
MAP4K2 Q12851 1/20 0.31
TAOK1 Q7L7X3 1/20 0.31
IRAK4 Q9NWZ3 1/20 0.31
MAP4K5 Q9Y4K4 1/20 0.31

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
SCHEMBL415982 0.91 JAK2 (0.34) MERTKFLT3TYRO3AXLMAP4K1
SCHEMBL14765639 0.90 MAP4K1 (0.34) MERTKFLT3TYRO3AXLMAP4K1
SCHEMBL414498 0.86 JAK2 (0.36) MERTKFLT3TYRO3AXLMAP4K1
SCHEMBL463809 0.86 MAP4K1 (0.35) MERTKFLT3TYRO3AXLMAP4K1
SCHEMBL14765622 0.86 MAP4K1 (0.35) MERTKFLT3TYRO3AXLMAP4K1
SCHEMBL463865 0.84 JAK2 (0.34) MERTKFLT3TYRO3AXLMAP4K1
SCHEMBL413912 0.82 JAK2 (0.39)
SCHEMBL414475 0.82 JAK2 (0.38)
SCHEMBL10291309 0.81 CHEK1 (0.36) MERTKFLT3TYRO3AXLMAP4K1
SCHEMBL14765620 0.80 MAP4K1 (0.34) MERTKFLT3TYRO3AXLMAP4K1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8148388-B2 2,4 (4,6) pyrimidine derivatives JANSSEN PHARMACEUTICA, N.V. (BE) 2012-04-03 US disclosed
US-20120065395-A1 2,4 (4,6) PYRIMIDINE DERIVATIVES FREYNE EDDY JEAN EDGARD (BE) 2012-03-15 US disclosed
US-20100160310-A1 2,4 (4,6) PYRIMIDINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2010-06-24 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-20120065395-A1 2,4 (4,6) PYRIMIDINE DERIVATIVES NR0B1, NR1H3, NCOA3 MERTK 3897/4885FLT3 2149/4885TYRO3 2241/4885
US-20100160310-A1 2,4 (4,6) PYRIMIDINE DERIVATIVES NR1H3, NR1H2, NR0B1 MERTK 3896/4885FLT3 2372/4885TYRO3 2532/4885

“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.