SCHEMBL463634

SCHEMBL463634

COc1ccc2cc1OCCNC(=O)CC(CC(C)C)NC(=O)COc1cccc(c1)Nc1cc(ncn1)N2

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.39
FLT3 P36888 6/20 0.32
JAK2 O60674 5/20 0.32
JAK1 P23458 4/20 0.32
TYK2 P29597 4/20 0.32
CCNA2 P20248 3/20 0.32
CDK2 P24941 3/20 0.32
CCNA1 P78396 3/20 0.32
TSHR P16473 3/20 0.31
GAA P10253 2/20 0.31
HSD17B10 Q99714 1/20 0.31
LMNA P02545 1/20 0.30
POLB P06746 1/20 0.30
AXL P30530 1/20 0.30
TYRO3 Q06418 1/20 0.30
MERTK Q12866 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
SCHEMBL10258569 0.93 EGFR (0.31) EGFRFLT3AXLTYRO3MERTK
SCHEMBL416007 0.87 EGFR (0.48) EGFRFLT3JAK2JAK1TYK2
SCHEMBL463815 0.82 MCL1 (0.36) EGFRFLT3AXLTYRO3MERTK
SCHEMBL416029 0.80 EGFR (0.39) EGFRFLT3JAK2JAK1TYK2
SCHEMBL415940 0.79 EGFR (0.39) EGFRFLT3JAK2JAK1TYK2
SCHEMBL415933 0.76 EGFR (0.40) EGFRFLT3JAK2JAK1TYK2
SCHEMBL416053 0.74 JAK2 (0.37) EGFRFLT3JAK2CCNA2CDK2
SCHEMBL413886 0.74 JAK2 (0.36) EGFRFLT3JAK2CCNA2CDK2
SCHEMBL415863 0.74 CDK2 (0.49) EGFRFLT3JAK2JAK1TYK2
SCHEMBL463768 0.72 GHSR (0.40) EGFRFLT3JAK2CCNA2CDK2

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 EGFR 1090/4885FLT3 2149/4885JAK2 2835/4885
US-20100160310-A1 2,4 (4,6) PYRIMIDINE DERIVATIVES NR1H3, NR1H2, NR0B1 EGFR 1611/4885FLT3 2372/4885JAK2 2841/4885

“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.