SCHEMBL5095293

SCHEMBL5095293

CC(C)c1ncc(-c2ccnc(Nc3ccc(S(=O)(=O)NCC4CCCO4)cc3)n2)n1C

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 11/20 0.59
CDK4 P11802 5/20 0.59
CCNA2 P20248 1/20 0.49
CCNA1 P78396 1/20 0.49
POLB P06746 2/20 0.48
SMN1; SMN2 Q16637 3/20 0.46
ALDH1A1 P00352 2/20 0.46
NR2F2 P24468 1/20 0.46
RAB9A P51151 1/20 0.46
NPC1 O15118 1/20 0.45
LMNA P02545 2/20 0.44
HTT P42858 1/20 0.44
SLC12A2 P55011 1/20 0.44
SLC12A5 Q9H2X9 1/20 0.44
TSHR P16473 1/20 0.44

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
SCHEMBL6598183 0.90 CDK2 (0.64) CDK2CDK4CCNA2CCNA1POLB
SCHEMBL5102624 0.88 CDK2 (0.56) CDK2CDK4CCNA2CCNA1POLB
SCHEMBL5108295 0.88 CDK2 (0.56) CDK2CDK4CCNA2CCNA1
SCHEMBL5095601 0.87 CDK2 (0.54) CDK2CDK4CCNA2CCNA1POLB
SCHEMBL5098992 0.85 CDK2 (0.60) CDK2CDK4CCNA2CCNA1POLB
SCHEMBL6594422 0.84 CDK2 (0.66) CDK2CDK4CCNA2CCNA1POLB
SCHEMBL6387030 0.83 CDK2 (0.60) CDK2CDK4CCNA2CCNA1POLB
SCHEMBL4021384 0.82 CDK2 (0.68) CDK2CDK4CCNA2CCNA1
SCHEMBL6106036 0.82 CDK2 (0.64) CDK2CDK4CCNA2CCNA1POLB
SCHEMBL5108359 0.81 CDK2 (0.52) CDK2CDK4CCNA2CCNA1

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-7442697-B2 4-imidazolyl substituted pyrimidine derivatives with CDK inhibitory activity ASTRAZENECA AB (SE) 2008-10-28 US claimed
US-20060074096-A1 4-Imidazolyl substituted pyrimidine derivatives with cdk inhibitory activity MOTOROLA MOBILITY LLC 2006-04-06 US claimed
EP-1490354-A1 4-IMIDAZOLYL SUBSTITUTED PYRIMIDINE DERIVATIVES WITH CDK INHIBITORY ACTIVITY Astrazeneca AB (SE) 2004-12-29 EP claimed
WO-2003076434-A1 4- IMIDAZOLYL SUBSTUITED PYRIMIDINE DERIVATIVES WITH CDK INHIBITIORY ACTIVITY ASTRAZENECA AB (SE) 2003-09-18 WO claimed
US-7442697-B2 4-imidazolyl substituted pyrimidine derivatives with CDK inhibitory activity ASTRAZENECA AB (SE) 2008-10-28 US disclosed
US-20060074096-A1 4-Imidazolyl substituted pyrimidine derivatives with cdk inhibitory activity MOTOROLA MOBILITY LLC 2006-04-06 US disclosed
EP-1490354-A1 4-IMIDAZOLYL SUBSTITUTED PYRIMIDINE DERIVATIVES WITH CDK INHIBITORY ACTIVITY Astrazeneca AB (SE) 2004-12-29 EP disclosed
WO-2003076434-A1 4- IMIDAZOLYL SUBSTUITED PYRIMIDINE DERIVATIVES WITH CDK INHIBITIORY ACTIVITY ASTRAZENECA AB (SE) 2003-09-18 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-20060074096-A1 4-Imidazolyl substituted pyrimidine derivatives with cdk inhibitory activity CCNI, CDK3, CDK4 CDK2 6/4885CDK4 3/4885CCNA2 34/4885

“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.