SCHEMBL414545

SCHEMBL414545

O=C1NCCCOc2ccc(cc2Cl)Nc2ccnc(n2)Nc2ccc(cc2)CN2CCCC12

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PLK4 O00444 1/20 0.37
BMPR2 Q13873 2/20 0.35
GSK3A P49840 1/20 0.35
GSK3B P49841 1/20 0.35
CTSL P07711 1/20 0.33
NTRK1 P04629 2/20 0.33
ROS1 P08922 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CHEK1 O14757 1/20 0.30
JAK2 O60674 5/20 0.30
CCNA2 P20248 2/20 0.30
CDK2 P24941 2/20 0.30
FLT3 P36888 2/20 0.30
CCNA1 P78396 2/20 0.30
JAK1 P23458 3/20 0.30
TYK2 P29597 3/20 0.30
JAK3 P52333 3/20 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
SCHEMBL414534 0.81 GSK3A (0.37) BMPR2GSK3AGSK3BCHEK1JAK2
SCHEMBL415046 0.80 BMPR2 (0.37) BMPR2GSK3AGSK3BCHEK1JAK2
SCHEMBL415056 0.78 BMPR2 (0.36) BMPR2GSK3AGSK3BCHEK1JAK2
SCHEMBL414918 0.76 JAK2 (0.36) PLK4JAK2CCNA2CDK2FLT3
SCHEMBL10290242 0.76 GSK3A (0.34) BMPR2GSK3AGSK3BJAK2CCNA2
SCHEMBL416124 0.76 CHEK1 (0.41) GSK3BCHEK1
SCHEMBL413931 0.74 JAK2 (0.43) BMPR2GSK3AGSK3BJAK2CCNA2
SCHEMBL416074 0.74 BMPR2 (0.40) BMPR2GSK3AGSK3BJAK2CCNA2
SCHEMBL415990 0.74 BMPR2 (0.40) BMPR2GSK3AGSK3BJAK2CCNA2
SCHEMBL463820 0.72 EGFR (0.35) JAK2CCNA2CDK2FLT3CCNA1

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 PLK4 3151/4885BMPR2 1442/4885GSK3A 4077/4885
US-20100160310-A1 2,4 (4,6) PYRIMIDINE DERIVATIVES NR1H3, NR1H2, NR0B1 PLK4 2796/4885BMPR2 1474/4885GSK3A 3787/4885

“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.