SCHEMBL10258646

SCHEMBL10258646

NC(=O)CCC1NC(=O)COc2cccc(c2)Nc2cc(ncn2)Nc2cccc(c2)OCCCCCNC1=O

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CCNC P24863 1/20 0.34
CDK8 P49336 1/20 0.34
IDE P14735 9/20 0.34
LNPEP Q9UIQ6 2/20 0.31
PSMB5 P28074 2/20 0.31
BACE1 P56817 1/20 0.31
IDH2 P48735 2/20 0.30
GLS O94925 1/20 0.30
CTSD P07339 1/20 0.30
HSP90AA1 P07900 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
SCHEMBL463840 0.86 MCL1 (0.36) CCNCCDK8BACE1IDH2CTSD
SCHEMBL10280138 0.85 PSMB5 (0.35) CCNCCDK8PSMB5BACE1IDH2
SCHEMBL463790 0.85 MCL1 (0.35) CCNCCDK8BACE1CTSD
SCHEMBL463862 0.82 CTSD (0.46) CCNCCDK8BACE1CTSD
SCHEMBL463805 0.81 CCNC (0.41) CCNCCDK8IDH2GLSHSP90AA1
SCHEMBL414417 0.72 MCL1 (0.41)
SCHEMBL416029 0.71 EGFR (0.39)
SCHEMBL463772 0.69 MCL1 (0.36)
SCHEMBL463852 0.69 JAK2 (0.39) CCNCCDK8IDH2GLS
SCHEMBL463812 0.67 JAK2 (0.38) CCNCCDK8GLS

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 CCNC 1807/4885CDK8 883/4885IDE 4841/4885
US-20100160310-A1 2,4 (4,6) PYRIMIDINE DERIVATIVES NR1H3, NR1H2, NR0B1 CCNC 1945/4885CDK8 843/4885IDE 4856/4885

“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.