SCHEMBL414491

SCHEMBL414491

N#Cc1cnc2nc1Nc1ccc(cc1)CN(CCN1CCOCC1)CCC(=O)NCCCOc1ccc(cc1Cl)N2

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 9/20 0.38
ALK Q9UM73 1/20 0.36
CCNT1 O60563 3/20 0.35
CCNA2 P20248 3/20 0.35
CDK2 P24941 3/20 0.35
CDK9 P50750 3/20 0.35
MAP4K1 Q92918 4/20 0.34
MAP4K3 Q8IVH8 2/20 0.34
JAK2 O60674 3/20 0.34
JAK1 P23458 3/20 0.34
TYK2 P29597 3/20 0.34
JAK3 P52333 3/20 0.34

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
SCHEMBL10290492 0.92 CHEK1 (0.37) CHEK1CCNT1CCNA2CDK2CDK9
SCHEMBL416121 0.91 CHEK1 (0.41) CHEK1
SCHEMBL414498 0.88 JAK2 (0.36) CHEK1ALKMAP4K1MAP4K3JAK2
SCHEMBL463818 0.88 CHEK1 (0.41) CHEK1MAP4K1MAP4K3
SCHEMBL14765638 0.86 CHEK1 (0.41) CHEK1MAP4K1MAP4K3
SCHEMBL415980 0.85 JAK2 (0.41) ALKMAP4K1MAP4K3JAK2JAK1
SCHEMBL413909 0.85 CHEK1 (0.40) CHEK1ALKJAK2JAK1TYK2
SCHEMBL416067 0.84 ALK (0.44) ALKMAP4K1MAP4K3JAK2JAK1
SCHEMBL414515 0.84 ALK (0.44) ALKMAP4K1MAP4K3JAK2JAK1
SCHEMBL415982 0.83 JAK2 (0.34) ALKMAP4K1MAP4K3JAK2JAK1

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-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-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 4237/4885ALK 2550/4885CCNT1 731/4885
US-20100160310-A1 2,4 (4,6) PYRIMIDINE DERIVATIVES NR1H3, NR1H2, NR0B1 CHEK1 4043/4885ALK 3597/4885CCNT1 845/4885

“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.