SCHEMBL413775

SCHEMBL413775

COc1ccc2cc1OCCNC(=O)C1CCCCN1Cc1cccc(c1)Nc1cc(ncn1)N2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 2/20 0.40
CCNA2 P20248 2/20 0.40
CDK2 P24941 2/20 0.40
FLT3 P36888 2/20 0.40
CCNA1 P78396 2/20 0.40
PLK4 O00444 2/20 0.34
EGFR P00533 8/20 0.34
HTR1A P08908 1/20 0.32
DRD1 P21728 1/20 0.32
GAK O14976 1/20 0.32
RIPK2 O43353 1/20 0.32
STK10 O94804 1/20 0.32
RET P07949 1/20 0.32
SRC P12931 1/20 0.32
FECH P22830 1/20 0.32
FLT4 P35916 1/20 0.32
ERBB4 Q15303 1/20 0.32
AKT3 Q9Y243 1/20 0.32
ERBB2 P04626 2/20 0.32
FLT1 P17948 2/20 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
SCHEMBL463769 0.98 FLT3 (0.40) JAK2CCNA2CDK2FLT3CCNA1
SCHEMBL415811 0.98 FLT3 (0.40) JAK2CCNA2CDK2FLT3CCNA1
SCHEMBL463782 0.89 FLT3 (0.36) JAK2CCNA2CDK2FLT3CCNA1
SCHEMBL463768 0.88 GHSR (0.40) JAK2CCNA2CDK2FLT3CCNA1
SCHEMBL463807 0.87 GHSR (0.39) JAK2CCNA2CDK2FLT3CCNA1
SCHEMBL10258378 0.87 EGFR (0.37) PLK4EGFRHTR1ADRD1GAK
SCHEMBL414868 0.87 FLT3 (0.40) JAK2CCNA2CDK2FLT3CCNA1
SCHEMBL10258190 0.87 FLT3 (0.40) JAK2CCNA2CDK2FLT3CCNA1
SCHEMBL463787 0.85 JAK2 (0.34) JAK2CCNA2CDK2FLT3CCNA1
SCHEMBL463820 0.85 EGFR (0.35) 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 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 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.