SCHEMBL463818

SCHEMBL463818

Cc1ccc2c(c1)Nc1ncc(C#N)c(n1)Nc1ccc(cc1)CN(CCN1CCOCC1)CCC(=O)NCCCO2

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 17/20 0.41
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GLA P06280 1/20 0.34
GAA P10253 1/20 0.34
TSHR P16473 1/20 0.34
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34
KMT2A Q03164 1/20 0.34
HSD17B10 Q99714 1/20 0.34
MAP4K1 Q92918 2/20 0.33
MAP4K3 Q8IVH8 1/20 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
SCHEMBL10290549 0.93 CHEK1 (0.40) CHEK1KDM4EMEN1ALDH1A1GLA
SCHEMBL416121 0.93 CHEK1 (0.41) CHEK1
SCHEMBL14765638 0.91 CHEK1 (0.41) CHEK1MAP4K1MAP4K3
SCHEMBL10290492 0.90 CHEK1 (0.37) CHEK1MAP4K1MAP4K3
SCHEMBL10290794 0.88 CHEK1 (0.37) CHEK1MAP4K1MAP4K3
SCHEMBL414491 0.88 CHEK1 (0.38) CHEK1MAP4K1MAP4K3
SCHEMBL471024 0.85 CHEK1 (0.40) CHEK1MAP4K1
SCHEMBL413909 0.85 CHEK1 (0.40) CHEK1
SCHEMBL14765621 0.84 CHEK1 (0.41) CHEK1MAP4K1MAP4K3
SCHEMBL416119 0.82 ALK (0.40) CHEK1MAP4K1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 CHEK1 4237/4885KDM4E 3842/4885MEN1 2424/4885
US-20100160310-A1 2,4 (4,6) PYRIMIDINE DERIVATIVES NR1H3, NR1H2, NR0B1 CHEK1 4043/4885KDM4E 3986/4885MEN1 2788/4885

“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.