SCHEMBL463768

SCHEMBL463768

COc1ccc2cc1OCCNC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1Cc1cccc(c1)Nc1cc(ncn1)N2

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 16/20 0.40
JAK2 O60674 1/20 0.36
CCNA2 P20248 1/20 0.36
CDK2 P24941 1/20 0.36
FLT3 P36888 1/20 0.36
CCNA1 P78396 1/20 0.36
ERBB2 P04626 2/20 0.32
FLT1 P17948 2/20 0.32
EPHA2 P29317 2/20 0.32
KDR P35968 2/20 0.32
EPHB4 P54760 2/20 0.32
EGFR P00533 1/20 0.32
PLK4 O00444 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
SCHEMBL415811 0.90 FLT3 (0.40) GHSRJAK2CCNA2CDK2FLT3
SCHEMBL463769 0.90 FLT3 (0.40) GHSRJAK2CCNA2CDK2FLT3
SCHEMBL463807 0.90 GHSR (0.39) GHSRJAK2CCNA2CDK2FLT3
SCHEMBL463782 0.89 FLT3 (0.36) GHSRJAK2CCNA2CDK2FLT3
SCHEMBL413775 0.88 JAK2 (0.40) GHSRJAK2CCNA2CDK2FLT3
SCHEMBL463787 0.88 JAK2 (0.34) GHSRJAK2CCNA2CDK2FLT3
SCHEMBL416053 0.86 JAK2 (0.37) GHSRJAK2CCNA2CDK2FLT3
SCHEMBL10290548 0.84 PLK4 (0.43) GHSRPLK4
SCHEMBL463791 0.84 PLK4 (0.43) GHSRPLK4
SCHEMBL414868 0.79 FLT3 (0.40) 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 5 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-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 1930/4885JAK2 2835/4885CCNA2 1274/4885
US-20100160310-A1 2,4 (4,6) PYRIMIDINE DERIVATIVES NR1H3, NR1H2, NR0B1 GHSR 1877/4885JAK2 2841/4885CCNA2 1291/4885

“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.