SCHEMBL415050

SCHEMBL415050

O=C1CCN(CCN2CCOCC2)Cc2ccc(cc2)Nc2nccc(n2)Nc2ccc(c(Cl)c2)OCCN1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 2/20 0.36
BMPR2 Q13873 2/20 0.36
GSK3B P49841 1/20 0.36
JAK2 O60674 10/20 0.35
FLT3 P36888 10/20 0.35
JAK1 P23458 9/20 0.35
TYK2 P29597 9/20 0.35
CCNA2 P20248 8/20 0.35
CDK2 P24941 8/20 0.35
JAK3 P52333 7/20 0.35
CCNA1 P78396 6/20 0.35
SYK P43405 5/20 0.33
KCNH2 Q12809 4/20 0.33
CDK9 P50750 3/20 0.32
CCNT1 O60563 2/20 0.32
GAK O14976 1/20 0.32
STK16 O75716 1/20 0.32
STK10 O94804 1/20 0.32
MAP4K4 O95819 1/20 0.32
PRKCB P05771 1/20 0.32

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
SCHEMBL414518 0.87 BMPR2 (0.39) GSK3ABMPR2GSK3BJAK2FLT3
SCHEMBL415056 0.86 BMPR2 (0.36) GSK3ABMPR2GSK3BJAK2FLT3
SCHEMBL415076 0.85 CHEK1 (0.39) GSK3ABMPR2GSK3BCCNA2CDK2
SCHEMBL415046 0.81 BMPR2 (0.37) GSK3ABMPR2GSK3BJAK2JAK1
SCHEMBL414491 0.80 CHEK1 (0.38) JAK2JAK1TYK2CCNA2CDK2
SCHEMBL414534 0.80 GSK3A (0.37) GSK3ABMPR2GSK3BJAK2FLT3
SCHEMBL416072 0.79 BMPR2 (0.38) GSK3ABMPR2GSK3BJAK2FLT3
SCHEMBL413916 0.76 CHEK1 (0.40) GSK3ABMPR2GSK3B
SCHEMBL10290242 0.76 GSK3A (0.34) GSK3ABMPR2GSK3BJAK2FLT3
SCHEMBL416074 0.75 BMPR2 (0.40) GSK3ABMPR2GSK3BJAK2FLT3

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 8 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-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-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-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
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 GSK3A 4077/4885BMPR2 1442/4885GSK3B 4007/4885
US-20100160310-A1 2,4 (4,6) PYRIMIDINE DERIVATIVES NR1H3, NR1H2, NR0B1 GSK3A 3787/4885BMPR2 1474/4885GSK3B 3734/4885

“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.