SCHEMBL414498

SCHEMBL414498

N#Cc1cnc2nc1Nc1ccc(cc1)CN1CCN(CCC(=O)NCCCOc3ccc(cc3Cl)N2)CC1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 7/20 0.36
JAK1 P23458 7/20 0.36
TYK2 P29597 7/20 0.36
JAK3 P52333 7/20 0.36
ALK Q9UM73 4/20 0.34
MAP4K1 Q92918 6/20 0.34
MAP4K3 Q8IVH8 3/20 0.34
FLT3 P36888 3/20 0.34
MERTK Q12866 3/20 0.34
AXL P30530 2/20 0.34
TYRO3 Q06418 2/20 0.34
STK4 Q13043 1/20 0.34
STK3 Q13188 1/20 0.34
STK26 Q9P289 1/20 0.34
STK24 Q9Y6E0 1/20 0.34
LRRK2 Q5S007 1/20 0.34
CHEK1 O14757 1/20 0.33

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 0.95 JAK2 (0.34) JAK2JAK1TYK2JAK3ALK
SCHEMBL463809 0.91 MAP4K1 (0.35) JAK2JAK1TYK2JAK3ALK
SCHEMBL14765622 0.89 MAP4K1 (0.35) JAK2JAK1TYK2JAK3MAP4K1
SCHEMBL414491 0.88 CHEK1 (0.38) JAK2JAK1TYK2JAK3ALK
SCHEMBL463857 0.86 MERTK (0.34) MAP4K1MAP4K3FLT3MERTKAXL
SCHEMBL14765639 0.84 MAP4K1 (0.34) MAP4K1MAP4K3FLT3MERTKAXL
SCHEMBL463817 0.84 CHEK1 (0.41) JAK2JAK1TYK2JAK3ALK
SCHEMBL415046 0.84 BMPR2 (0.37) JAK2JAK1TYK2JAK3ALK
SCHEMBL415980 0.83 JAK2 (0.41) JAK2JAK1TYK2JAK3ALK
SCHEMBL416068 0.81 JAK2 (0.43) JAK2JAK1TYK2JAK3ALK

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-8394955-B2 2,4 (4,6) pyrimidine derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2013-03-12 US disclosed
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 JAK2 2835/4885JAK1 2671/4885TYK2 1597/4885
US-20100160310-A1 2,4 (4,6) PYRIMIDINE DERIVATIVES NR1H3, NR1H2, NR0B1 JAK2 2841/4885JAK1 2686/4885TYK2 1451/4885

“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.