SCHEMBL413909

SCHEMBL413909

N#Cc1cnc2nc1Nc1cccc(c1)CN(CCN1CCOCC1)CCC(=O)NCCCOc1ccc(Cl)cc1N2

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 14/20 0.40
ALK Q9UM73 3/20 0.37
JAK2 O60674 4/20 0.37
JAK1 P23458 4/20 0.37
TYK2 P29597 4/20 0.37
JAK3 P52333 4/20 0.37

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
SCHEMBL413896 0.96 CHEK1 (0.37) CHEK1ALKJAK2JAK1TYK2
SCHEMBL416119 0.95 ALK (0.40) CHEK1ALKJAK2JAK1TYK2
SCHEMBL471024 0.93 CHEK1 (0.40) CHEK1ALKJAK2JAK1TYK2
SCHEMBL10290549 0.93 CHEK1 (0.40) CHEK1ALKJAK2JAK1TYK2
SCHEMBL416121 0.93 CHEK1 (0.41) CHEK1
SCHEMBL14765621 0.92 CHEK1 (0.41) CHEK1ALKJAK2JAK1TYK2
SCHEMBL414486 0.92 CHEK1 (0.39) CHEK1ALKJAK2JAK1TYK2
SCHEMBL413910 0.91 CHEK1 (0.41) CHEK1ALKJAK2JAK1TYK2
SCHEMBL463817 0.89 CHEK1 (0.41) CHEK1ALKJAK2JAK1TYK2
SCHEMBL10290794 0.88 CHEK1 (0.37) CHEK1ALKJAK2JAK1TYK2

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 CHEK1 4237/4885ALK 2550/4885JAK2 2835/4885
US-20100160310-A1 2,4 (4,6) PYRIMIDINE DERIVATIVES NR1H3, NR1H2, NR0B1 CHEK1 4043/4885ALK 3597/4885JAK2 2841/4885

“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.