SCHEMBL2142295

SCHEMBL2142295

COc1ccccc1-c1cc(C(=O)c2nc3cc(N4CCC(N(C)C)CC4)ccc3[nH]2)ccc1C(N)=O

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 6/20 0.48
CCND1 P24385 6/20 0.48
CCND3 P30281 5/20 0.48
CDK6 Q00534 5/20 0.48
CDK1 P06493 3/20 0.48
CCNB1 P14635 3/20 0.48
CCNA2 P20248 3/20 0.48
CDK2 P24941 3/20 0.48
CCNA1 P78396 3/20 0.48
PDE10A Q9Y233 6/20 0.41
EGFR P00533 4/20 0.40
ALK Q9UM73 1/20 0.40
BTK Q06187 1/20 0.38
PLK1 P53350 1/20 0.37
PARP1 P09874 1/20 0.36
BRD4 O60885 1/20 0.35

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
SCHEMBL13075581 0.91 CDK4 (0.49) CDK4CCND1CCND3CDK6CDK1
SCHEMBL111630 0.88 CDK4 (0.56) CDK4CCND1CCND3CDK6CDK1
SCHEMBL112881 0.76 CDK4 (0.74) CDK4CCND1CCND3CDK6CDK1
SCHEMBL112592 0.74 CDK4 (0.63) CDK4CCND1CCND3CDK6CDK1
SCHEMBL113181 0.73 CDK4 (0.66) CDK4CCND1CCND3CDK6CDK1
SCHEMBL2142406 0.73 CDK4 (0.78) CDK4CCND1CCND3CDK6CDK1
SCHEMBL2128517 0.73 CDK4 (0.59) CDK4CCND1CCND3CDK6CDK1
SCHEMBL2143684 0.73 CDK4 (0.65) CDK4CCND1CCND3CDK6CDK1
SCHEMBL2143680 0.73 CDK4 (0.65) CDK4CCND1CCND3CDK6CDK1
SCHEMBL13076190 0.72 CDK4 (0.51) CDK4CCND1CCND3CDK6CDK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120101064-A1 IMIDAZOLE DERIVATIVES AND THEIR USE AS MODULATORS OF CYCLIN DEPENDENT KINASES ASTEX THERAPEUTICS LIMITED (GB) 2012-04-26 US disclosed
US-20120101064-A1 IMIDAZOLE DERIVATIVES AND THEIR USE AS MODULATORS OF CYCLIN DEPENDENT KINASES ASTEX THERAPEUTICS LIMITED (GB) 2012-04-26 US disclosed
WO-2010125402-A1 IMIDAZOLE DERIVATIVES AND THEIR USE AS MODULATORS OF CYCLIN DEPENDENT KINASES NOVARTIS AG (CH) 2010-11-04 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-20120101064-A1 IMIDAZOLE DERIVATIVES AND THEIR USE AS MODULATORS OF CYCLIN DEPENDENT KINASES CDK3, CCNI, CDK1 CDK4 13/4885CCND1 30/4885CCND3 7/4885

“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.