SCHEMBL416124

SCHEMBL416124

N#Cc1cnc2nc1Nc1ccc(cc1)CN1CCCC1C(=O)NCCCOc1ccc(Cl)cc1N2

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 17/20 0.41
CSF1R P07333 1/20 0.36
GSK3B P49841 1/20 0.36
RPS6KA3 P51812 1/20 0.36
PRKAA1 Q13131 1/20 0.36
STK3 Q13188 1/20 0.36
EGFR P00533 1/20 0.34
MAP4K1 Q92918 2/20 0.33

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
SCHEMBL416063 0.89 CHEK1 (0.37) CHEK1CSF1RGSK3BRPS6KA3PRKAA1
SCHEMBL416121 0.80 CHEK1 (0.41) CHEK1EGFR
SCHEMBL413911 0.79 CHEK1 (0.39) CHEK1CSF1RGSK3BRPS6KA3PRKAA1
SCHEMBL414545 0.76 PLK4 (0.37) CHEK1GSK3B
SCHEMBL413910 0.76 CHEK1 (0.41) CHEK1MAP4K1
SCHEMBL463817 0.75 CHEK1 (0.41) CHEK1CSF1RGSK3BRPS6KA3PRKAA1
SCHEMBL414486 0.74 CHEK1 (0.39) CHEK1MAP4K1
SCHEMBL414498 0.73 JAK2 (0.36) CHEK1STK3MAP4K1
SCHEMBL414507 0.73 JAK2 (0.41) CHEK1MAP4K1
SCHEMBL413909 0.73 CHEK1 (0.40) CHEK1

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 CHEK1 4237/4885CSF1R 2909/4885GSK3B 4007/4885
US-20100160310-A1 2,4 (4,6) PYRIMIDINE DERIVATIVES NR1H3, NR1H2, NR0B1 CHEK1 4043/4885CSF1R 2872/4885GSK3B 3734/4885

“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.