SCHEMBL463802

SCHEMBL463802

CN(C)CCCCC1NC(=O)CN(C)Cc2cccc(c2)Nc2cc(ncn2)Nc2cccc(c2)CNC1=O

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 1/20 0.38
CDK2 P24941 5/20 0.34
FLT3 P36888 5/20 0.34
CCNA2 P20248 3/20 0.34
CCNA1 P78396 3/20 0.34
PLK4 O00444 1/20 0.32
JAK2 O60674 3/20 0.31
TYK2 P29597 2/20 0.30
JAK1 P23458 1/20 0.30
ITGB3 P05106 1/20 0.30
ITGA2B P08514 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
SCHEMBL414407 0.88 CCNA2 (0.31) GHSRCDK2FLT3CCNA2CCNA1
SCHEMBL10258731 0.85 GHSR (0.46) GHSRCDK2FLT3CCNA2CCNA1
SCHEMBL10266896 0.85 F7 (0.33) GHSRJAK2TYK2JAK1
SCHEMBL463853 0.85 CCNA2 (0.31) CDK2FLT3CCNA2CCNA1
SCHEMBL10258468 0.84 PLK4 (0.43) GHSRPLK4
SCHEMBL463864 0.84 BMPR2 (0.31)
SCHEMBL463803 0.84 GHSR (0.39) GHSRCDK2FLT3CCNA2CCNA1
SCHEMBL463801 0.83 GHSR (0.38) GHSRCDK2FLT3CCNA2CCNA1
SCHEMBL463774 0.82 JAK2 (0.32) CDK2FLT3CCNA2CCNA1JAK2
SCHEMBL414903 0.77 MCL1 (0.30)

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 GHSR 1930/4885CDK2 882/4885FLT3 2149/4885
US-20100160310-A1 2,4 (4,6) PYRIMIDINE DERIVATIVES NR1H3, NR1H2, NR0B1 GHSR 1877/4885CDK2 901/4885FLT3 2372/4885

“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.