SCHEMBL12869718

SCHEMBL12869718

CN1CCN(NC(=O)Nc2cccc3c2C(=O)c2c-3n[nH]c2-c2ccc(OCCC3CCC[C@H]3CO)cc2)CC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 20/20 0.62
CCND1 P24385 20/20 0.62
CDK2 P24941 9/20 0.62
CCNE2 O96020 8/20 0.62
CCNE1 P24864 8/20 0.62
CDK1 P06493 2/20 0.55
CCNB1 P14635 2/20 0.55
CCNB2 O95067 1/20 0.55
ABL1 P00519 1/20 0.55
CCNA2 P20248 1/20 0.55
CCNA1 P78396 1/20 0.55
CCNB3 Q8WWL7 1/20 0.55
CIT O14578 1/20 0.48
GAK O14976 1/20 0.48
CCNT1 O60563 1/20 0.48
STK16 O75716 1/20 0.48
PRKD3 O94806 1/20 0.48
MAP4K4 O95819 1/20 0.48
PDGFRB P09619 1/20 0.48
BCR P11274 1/20 0.48

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
SCHEMBL10087366 0.87 CDK4 (0.61) CDK4CCND1CDK2CCNE2CCNE1
SCHEMBL10087359 0.86 CDK4 (0.68) CDK4CCND1CDK2CCNE2CCNE1
SCHEMBL10087402 0.85 CDK4 (0.68) CDK4CCND1CDK2CCNE2CCNE1
SCHEMBL10087365 0.84 CDK4 (0.65) CDK4CCND1CDK2CCNE2CCNE1
SCHEMBL10087367 0.84 CDK4 (0.62) CDK4CCND1CDK2CCNE2CCNE1
SCHEMBL10087369 0.83 CDK4 (0.65) CDK4CCND1CDK2CCNE2CCNE1
SCHEMBL4029303 0.83 CDK4 (0.87) CDK4CCND1CDK2CCNE2CCNE1
SCHEMBL10087381 0.82 CDK4 (0.64) CDK4CCND1CDK2CCNE2CCNE1
SCHEMBL10087379 0.81 CDK4 (0.71) CDK4CCND1CDK2CCNE2CCNE1
SCHEMBL10087387 0.80 CDK4 (0.59) CDK4CCND1CDK2CCNE2CCNE1

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-7893057-B2 Inhibitors of cyclin-dependent kinases, compositions and uses related thereto AGENNIX USA INC. (US) 2011-02-22 US disclosed
US-7893057-B2 Inhibitors of cyclin-dependent kinases, compositions and uses related thereto AGENNIX USA INC. (US) 2011-02-22 US disclosed
US-20100004207-A1 Inhibitors of cyclin-dependent kinases, compositions and uses related thereto GPC BIOTECH INC. 2010-01-07 US disclosed
US-20100004207-A1 Inhibitors of cyclin-dependent kinases, compositions and uses related thereto GPC BIOTECH INC. 2010-01-07 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 (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-20100004207-A1 Inhibitors of cyclin-dependent kinases, compositions and uses related thereto CDK1, CCNO, CCNI CDK4 14/4885CCND1 55/4885CDK2 4/4885

“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.