SCHEMBL4270801

SCHEMBL4270801

O=S(=O)(NCCO)c1ccc(Nc2nc(OCC3CCCCC3)c3cn[nH]c3n2)cc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 20/20 0.75
CDK1 P06493 11/20 0.75
CCNB1 P14635 10/20 0.75
CCNT1 O60563 6/20 0.75
CDK7 P50613 6/20 0.75
CDK9 P50750 6/20 0.75
CCNH P51946 6/20 0.75
CDK5 Q00535 5/20 0.75
CCNA2 P20248 14/20 0.66
CDK5R1 Q15078 2/20 0.59
CCNA1 P78396 11/20 0.53
CCNB2 O95067 6/20 0.53
CCNB3 Q8WWL7 6/20 0.53
ROCK2 O75116 1/20 0.51
CDK4 P11802 1/20 0.51
CCND1 P24385 1/20 0.51
CCNE1 P24864 1/20 0.51
GSK3B P49841 1/20 0.51
MNAT1 P51948 1/20 0.51
DYRK1A Q13627 1/20 0.51

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
SCHEMBL4262481 0.86 CDK2 (0.66) CDK2CDK1CCNB1CCNT1CDK7
SCHEMBL4264549 0.86 CDK2 (1.00) CDK2CDK1CCNB1CCNT1CDK7
SCHEMBL6786530 0.83 CDK2 (0.67) CDK2CDK1CCNB1CCNT1CDK7
SCHEMBL4260619 0.80 CDK2 (0.73) CDK2CDK1CCNB1CCNT1CDK7
SCHEMBL4263051 0.78 PLK4 (0.52) CDK2CDK1CCNB1CCNT1CDK7
SCHEMBL4264564 0.75 CDK2 (0.66) CDK2CDK1CCNB1CCNT1CDK7
SCHEMBL6793407 0.75 CDK2 (0.61) CDK2CDK1CCNB1CCNT1CDK7
SCHEMBL6791762 0.73 CDK2 (0.59) CDK2CDK1CCNB1CCNT1CDK7
SCHEMBL6796187 0.73 CDK2 (0.63) CDK2CDK1CCNB1CCNT1CDK7
SCHEMBL6786261 0.72 CDK2 (0.60) CDK2CDK1CCNB1CCNT1CDK7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8314234-B2 Bicyclic pyrimidine kinase inhibitors JANSSEN PHARMACEUTICA N.V. (BE) 2012-11-20 US claimed
US-20090076037-A1 BICYCLIC PYRIMIDINE KINASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2009-03-19 US claimed
US-8314234-B2 Bicyclic pyrimidine kinase inhibitors JANSSEN PHARMACEUTICA N.V. (BE) 2012-11-20 US disclosed
US-8314234-B2 Bicyclic pyrimidine kinase inhibitors JANSSEN PHARMACEUTICA N.V. (BE) 2012-11-20 US disclosed
US-8314234-B2 Bicyclic pyrimidine kinase inhibitors JANSSEN PHARMACEUTICA N.V. (BE) 2012-11-20 US disclosed
US-20090076037-A1 BICYCLIC PYRIMIDINE KINASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2009-03-19 US disclosed
US-20090076037-A1 BICYCLIC PYRIMIDINE KINASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2009-03-19 US disclosed
US-20090076037-A1 BICYCLIC PYRIMIDINE KINASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2009-03-19 US disclosed
WO-2008039359-A2 BICYCLIC PYRIMIDINE KINASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2008-04-03 WO 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 (1 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-20090076037-A1 BICYCLIC PYRIMIDINE KINASE INHIBITORS DCK, CDK2, DTYMK CDK2 2/4885CDK1 8/4885CCNB1 449/4885

“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.