SCHEMBL415056

SCHEMBL415056

CCN1CCC(=O)NCCCOc2ccc(cc2Cl)Nc2ccnc(n2)Nc2ccc(cc2)C1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BMPR2 Q13873 2/20 0.36
GSK3A P49840 1/20 0.36
GSK3B P49841 1/20 0.36
JAK2 O60674 6/20 0.32
JAK1 P23458 6/20 0.32
TYK2 P29597 6/20 0.32
JAK3 P52333 6/20 0.32
FLT3 P36888 3/20 0.32
CCNA2 P20248 1/20 0.31
CDK2 P24941 1/20 0.31
CCNA1 P78396 1/20 0.31
LMNA P02545 1/20 0.31
PKM P14618 1/20 0.31
STK4 Q13043 1/20 0.31
STK3 Q13188 1/20 0.31
STK26 Q9P289 1/20 0.31
STK24 Q9Y6E0 1/20 0.31
EGFR P00533 2/20 0.30
CHEK1 O14757 1/20 0.30

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
SCHEMBL416072 0.93 BMPR2 (0.38) BMPR2GSK3AGSK3BJAK2JAK1
SCHEMBL413916 0.90 CHEK1 (0.40) BMPR2GSK3AGSK3BLMNAPKM
SCHEMBL415046 0.88 BMPR2 (0.37) BMPR2GSK3AGSK3BJAK2JAK1
SCHEMBL10290242 0.87 GSK3A (0.34) BMPR2GSK3AGSK3BJAK2JAK1
SCHEMBL414534 0.87 GSK3A (0.37) BMPR2GSK3AGSK3BJAK2JAK1
SCHEMBL415050 0.86 GSK3A (0.36) BMPR2GSK3AGSK3BJAK2JAK1
SCHEMBL10291311 0.84 BMPR2 (0.39) BMPR2GSK3AGSK3BJAK2JAK1
SCHEMBL416074 0.81 BMPR2 (0.40) BMPR2GSK3AGSK3BJAK2JAK1
SCHEMBL415990 0.81 BMPR2 (0.40) BMPR2GSK3AGSK3BJAK2JAK1
SCHEMBL415076 0.81 CHEK1 (0.39) BMPR2GSK3AGSK3BCCNA2CDK2

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 6 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-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

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