SCHEMBL463799

SCHEMBL463799

CCN1CCNC(=O)C(Cc2ccc(C(F)(F)F)cc2)NC(=O)CN(C)Cc2cccc(c2)Nc2cc(ncn2)Nc2cccc(c2)C1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 3/20 0.36
HRH3 Q9Y5N1 2/20 0.31
MCL1 Q07820 1/20 0.31
TACR2 P21452 1/20 0.31
CCNA2 P20248 1/20 0.30
CDK2 P24941 1/20 0.30
FLT3 P36888 1/20 0.30
CCNA1 P78396 1/20 0.30
OPRM1 P35372 1/20 0.30
OPRD1 P41143 1/20 0.30
OPRK1 P41145 1/20 0.30
MLNR O43193 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
SCHEMBL463796 0.84 CCNA2 (0.33) GHSRCCNA2CDK2FLT3CCNA1
SCHEMBL463825 0.84 CCNA2 (0.33) GHSRCCNA2CDK2FLT3CCNA1
SCHEMBL10258688 0.82 GHSR (0.39) GHSRCCNA2CDK2FLT3CCNA1
SCHEMBL414407 0.81 CCNA2 (0.31) GHSRCCNA2CDK2FLT3CCNA1
SCHEMBL463845 0.77 PLK4 (0.36) GHSRHRH3
SCHEMBL416051 0.74 GHSR (0.40) GHSRTACR2OPRM1OPRD1
SCHEMBL463772 0.73 MCL1 (0.36) MCL1CCNA2CDK2FLT3CCNA1
SCHEMBL463863 0.73 CCNA2 (0.33) CCNA2CDK2FLT3CCNA1
SCHEMBL414905 0.73 MCL1 (0.39) MCL1CCNA2CDK2FLT3CCNA1
SCHEMBL415977 0.73 GHSR (0.34) GHSRMCL1MLNR

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 GHSR 1930/4885HRH3 121/4885MCL1 1842/4885
US-20100160310-A1 2,4 (4,6) PYRIMIDINE DERIVATIVES NR1H3, NR1H2, NR0B1 GHSR 1877/4885HRH3 173/4885MCL1 2306/4885

“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.