SCHEMBL415940

SCHEMBL415940

COc1ccc2cc1OCCNC(=O)CC1CCCN1C(=O)COc1cccc(c1)Nc1cc(ncn1)N2

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.39
BCL6 P41182 1/20 0.35
JAK2 O60674 6/20 0.32
FLT3 P36888 6/20 0.32
JAK1 P23458 4/20 0.32
TYK2 P29597 4/20 0.32
CCNA2 P20248 4/20 0.32
CDK2 P24941 4/20 0.32
CCNA1 P78396 4/20 0.32
PLK4 O00444 1/20 0.31
TNF P01375 1/20 0.31
LITAF Q99732 1/20 0.31
BACE1 P56817 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
SCHEMBL415933 0.90 EGFR (0.40) EGFRJAK2FLT3JAK1TYK2
SCHEMBL416007 0.84 EGFR (0.48) EGFRJAK2FLT3JAK1TYK2
SCHEMBL463634 0.79 EGFR (0.39) EGFRJAK2FLT3JAK1TYK2
SCHEMBL13291965 0.78 JAK2 (0.36) EGFRJAK2FLT3JAK1TYK2
SCHEMBL414916 0.77 PLK4 (0.33) EGFRPLK4
SCHEMBL416029 0.75 EGFR (0.39) EGFRJAK2FLT3JAK1TYK2
SCHEMBL463769 0.75 FLT3 (0.40) EGFRJAK2FLT3CCNA2CDK2
SCHEMBL415811 0.75 FLT3 (0.40) EGFRJAK2FLT3CCNA2CDK2
SCHEMBL415863 0.73 CDK2 (0.49) EGFRJAK2FLT3JAK1TYK2
SCHEMBL413775 0.73 JAK2 (0.40) EGFRJAK2FLT3CCNA2CDK2

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 8 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-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
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 1090/4885BCL6 792/4885JAK2 2835/4885
US-20100160310-A1 2,4 (4,6) PYRIMIDINE DERIVATIVES NR1H3, NR1H2, NR0B1 EGFR 1611/4885BCL6 993/4885JAK2 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.