SCHEMBL463787

SCHEMBL463787

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

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.34
CCNA2 P20248 1/20 0.34
CDK2 P24941 1/20 0.34
FLT3 P36888 1/20 0.34
CCNA1 P78396 1/20 0.34
GHSR Q92847 7/20 0.34
PLK4 O00444 1/20 0.32
HDAC3 O15379 3/20 0.31
HDAC1 Q13547 3/20 0.31
HDAC2 Q92769 3/20 0.31
HDAC8 Q9BY41 3/20 0.31
HDAC6 Q9UBN7 3/20 0.31
HDAC4 P56524 1/20 0.31
HDAC7 Q8WUI4 1/20 0.31
HDAC10 Q969S8 1/20 0.31
HDAC11 Q96DB2 1/20 0.31
HDAC9 Q9UKV0 1/20 0.31
HDAC5 Q9UQL6 1/20 0.31

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
SCHEMBL463768 0.88 GHSR (0.40) JAK2CCNA2CDK2FLT3CCNA1
SCHEMBL415811 0.88 FLT3 (0.40) JAK2CCNA2CDK2FLT3CCNA1
SCHEMBL463769 0.88 FLT3 (0.40) JAK2CCNA2CDK2FLT3CCNA1
SCHEMBL463807 0.87 GHSR (0.39) JAK2CCNA2CDK2FLT3CCNA1
SCHEMBL413775 0.85 JAK2 (0.40) JAK2CCNA2CDK2FLT3CCNA1
SCHEMBL10258468 0.85 PLK4 (0.43) GHSRPLK4HDAC1HDAC6HDAC4
SCHEMBL463851 0.84 PLK4 (0.36) PLK4HDAC3HDAC1HDAC2HDAC8
SCHEMBL463782 0.83 FLT3 (0.36) JAK2CCNA2CDK2FLT3CCNA1
SCHEMBL415955 0.79 PLK4 (0.34) PLK4HDAC1HDAC6HDAC4
SCHEMBL10280122 0.79 GHSR (0.30) GHSR

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 4 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

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 JAK2 2835/4885CCNA2 1274/4885CDK2 882/4885
US-20100160310-A1 2,4 (4,6) PYRIMIDINE DERIVATIVES NR1H3, NR1H2, NR0B1 JAK2 2841/4885CCNA2 1291/4885CDK2 901/4885

“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.