SCHEMBL6789620

SCHEMBL6789620

CN(C)C(=O)c1ccc(Nc2nc(OCC3CCCCC3)c3nc[nH]c3n2)cc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 20/20 0.76
CCNA2 P20248 18/20 0.76
CCNA1 P78396 17/20 0.76
CDK1 P06493 16/20 0.76
CCNB1 P14635 15/20 0.76
CCNB2 O95067 14/20 0.76
CCNB3 Q8WWL7 14/20 0.76
AURKA O14965 1/20 0.63
CCNT1 O60563 1/20 0.63
CDK4 P11802 1/20 0.63
EIF2AK2 P19525 1/20 0.63
CCND1 P24385 1/20 0.63
CCNE1 P24864 1/20 0.63
CDK7 P50613 1/20 0.63
CDK9 P50750 1/20 0.63
CCNH P51946 1/20 0.63
MNAT1 P51948 1/20 0.63
CDK5 Q00535 1/20 0.63
CDK5R1 Q15078 1/20 0.63
AURKB Q96GD4 1/20 0.63

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
SCHEMBL31060307 0.91 CDK2 (0.77) CDK2CCNA2CCNA1CDK1CCNB1
SCHEMBL2169233 0.91 CDK2 (0.77) CDK2CCNA2CCNA1CDK1CCNB1
SCHEMBL6904174 0.90 CDK2 (0.75) CDK2CCNA2CCNA1CDK1CCNB1
SCHEMBL6789333 0.89 CDK2 (0.74) CDK2CCNA2CCNA1CDK1CCNB1
SCHEMBL6790184 0.88 CDK2 (0.75) CDK2CCNA2CCNA1CDK1CCNB1
SCHEMBL6789156 0.88 CDK2 (0.75) CDK2CCNA2CCNA1CDK1CCNB1
SCHEMBL29644959 0.88 CDK2 (0.75) CDK2CCNA2CCNA1CDK1CCNB1
SCHEMBL6787523 0.86 CDK2 (0.63) CDK2CCNA2CCNA1CDK1CCNB1
SCHEMBL6790670 0.85 CDK2 (0.61) CDK2CCNA2CCNA1CDK1CCNB1
SCHEMBL31439116 0.84 CDK2 (0.72) CDK2CCNA2CCNA1CDK1CCNB1

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-20040110775-A1 Cyclin dependent kinase inhibiting purine derivatives CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2004-06-10 US claimed
US-20040110775-A1 Cyclin dependent kinase inhibiting purine derivatives CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2004-06-10 US disclosed
EP-1353922-A1 CYCLIN DEPENDENT KINASE INHIBITING PURINE DERIVATIVES Cancer Research Technology Limited (GB) 2003-10-22 EP disclosed
WO-2002059125-A1 CYCLIN DEPENDENT KINASE INHIBITING PURINE DERIVATIVES CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2002-08-01 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-20040110775-A1 Cyclin dependent kinase inhibiting purine derivatives CCNA1, CDKL1, CCNK CDK2 13/4885CCNA2 15/4885CCNA1 1/4885

“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.