SCHEMBL415076

SCHEMBL415076

O=C1CCN(CCN2CCOCC2)Cc2ccc(cc2)Nc2nccc(n2)Nc2cc(Cl)ccc2OCCCN1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 12/20 0.39
GSK3A P49840 1/20 0.36
GSK3B P49841 1/20 0.36
BMPR2 Q13873 1/20 0.36
CCNT1 O60563 4/20 0.36
CCNA2 P20248 4/20 0.36
CDK2 P24941 4/20 0.36
CDK9 P50750 4/20 0.36
EGFR P00533 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
SCHEMBL416082 0.88 CHEK1 (0.41) CHEK1GSK3AGSK3BBMPR2CCNA2
SCHEMBL413916 0.88 CHEK1 (0.40) CHEK1GSK3AGSK3BBMPR2EGFR
SCHEMBL414565 0.86 CHEK1 (0.43) CHEK1GSK3AGSK3BBMPR2CCNA2
SCHEMBL415050 0.85 GSK3A (0.36) GSK3AGSK3BBMPR2CCNT1CCNA2
SCHEMBL416121 0.85 CHEK1 (0.41) CHEK1EGFR
SCHEMBL415037 0.83 BMPR2 (0.38) CHEK1GSK3AGSK3BBMPR2CCNA2
SCHEMBL415056 0.81 BMPR2 (0.36) CHEK1GSK3AGSK3BBMPR2CCNA2
SCHEMBL463823 0.80 CHEK1 (0.41) CHEK1GSK3AGSK3BBMPR2CCNA2
SCHEMBL414491 0.78 CHEK1 (0.38) CHEK1CCNT1CCNA2CDK2CDK9
SCHEMBL413909 0.78 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 4237/4885GSK3A 4077/4885GSK3B 4007/4885
US-20100160310-A1 2,4 (4,6) PYRIMIDINE DERIVATIVES NR1H3, NR1H2, NR0B1 CHEK1 4043/4885GSK3A 3787/4885GSK3B 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.