SCHEMBL416082

SCHEMBL416082

CN1CCC(=O)NCCCOc2ccc(Cl)cc2Nc2ccnc(n2)Nc2ccc(cc2)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 8/20 0.41
BMPR2 Q13873 2/20 0.39
GSK3B P49841 2/20 0.39
GSK3A P49840 1/20 0.39
EGFR P00533 3/20 0.36
JAK2 O60674 3/20 0.33
FLT3 P36888 3/20 0.33
CCNA2 P20248 1/20 0.33
CDK2 P24941 1/20 0.33
CCNA1 P78396 1/20 0.33
MAP3K5 Q99683 1/20 0.32
HTR2A P28223 1/20 0.32
SYK P43405 1/20 0.32
STK3 Q13188 2/20 0.31
CSF1R P07333 1/20 0.31
RPS6KA3 P51812 1/20 0.31
PRKAA1 Q13131 1/20 0.31
STK4 Q13043 1/20 0.31
STK26 Q9P289 1/20 0.31
STK24 Q9Y6E0 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
SCHEMBL414565 0.93 CHEK1 (0.43) CHEK1BMPR2GSK3BGSK3AEGFR
SCHEMBL415076 0.88 CHEK1 (0.39) CHEK1BMPR2GSK3BGSK3AEGFR
SCHEMBL413916 0.86 CHEK1 (0.40) CHEK1BMPR2GSK3BGSK3AEGFR
SCHEMBL415045 0.84 CHEK1 (0.38) CHEK1BMPR2GSK3BGSK3AEGFR
SCHEMBL416130 0.84 CDK2 (0.42) CHEK1BMPR2GSK3BGSK3AEGFR
SCHEMBL463823 0.83 CHEK1 (0.41) CHEK1BMPR2GSK3BGSK3AEGFR
SCHEMBL414534 0.81 GSK3A (0.37) CHEK1BMPR2GSK3BGSK3AEGFR
SCHEMBL413911 0.79 CHEK1 (0.39) CHEK1GSK3BEGFRFLT3STK3
SCHEMBL415046 0.79 BMPR2 (0.37) CHEK1BMPR2GSK3BGSK3AJAK2
SCHEMBL415056 0.79 BMPR2 (0.36) CHEK1BMPR2GSK3BGSK3AEGFR

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-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-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 CHEK1 4237/4885BMPR2 1442/4885GSK3B 4007/4885
US-20100160310-A1 2,4 (4,6) PYRIMIDINE DERIVATIVES NR1H3, NR1H2, NR0B1 CHEK1 4043/4885BMPR2 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.