SCHEMBL3799214

SCHEMBL3799214

CNc1ccc(C(=O)N[C@@H](CCC(=O)NCCOCCOCCOCCNC(=O)COc2ccc(-c3n[nH]c4c3C(=O)c3c(NC(=O)NN5CCOCC5)cccc3-4)cc2)C(=O)O)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 19/20 0.56
CCND1 P24385 19/20 0.56
CCNE2 O96020 11/20 0.56
CCNE1 P24864 11/20 0.56
CDK2 P24941 11/20 0.56
CIT O14578 1/20 0.52
GAK O14976 1/20 0.52
CCNT1 O60563 1/20 0.52
STK16 O75716 1/20 0.52
PRKD3 O94806 1/20 0.52
MAP4K4 O95819 1/20 0.52
CDK1 P06493 1/20 0.52
PDGFRB P09619 1/20 0.52
BCR P11274 1/20 0.52
CCNB1 P14635 1/20 0.52
ERCC2 P18074 1/20 0.52
CSNK2A2 P19784 1/20 0.52
JAK1 P23458 1/20 0.52
CCND3 P30281 1/20 0.52
FLT3 P36888 1/20 0.52

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
SCHEMBL3793917 1.00 CDK4 (0.56) CDK4CCND1CCNE2CCNE1CDK2
SCHEMBL3793922 0.96 CDK4 (0.50) CDK4CCND1CCNE2CCNE1CDK2
SCHEMBL3799207 0.96 CDK4 (0.50) CDK4CCND1CCNE2CCNE1CDK2
SCHEMBL1179344 0.93 CDK4 (0.53) CDK4CCND1CCNE2CCNE1CDK2
SCHEMBL1116317 0.93 CDK4 (0.53) CDK4CCND1CCNE2CCNE1CDK2
SCHEMBL4385258 0.93 CDK4 (0.56) CDK4CCND1CCNE2CCNE1CDK2
SCHEMBL4710008 0.90 CDK4 (0.51) CDK4CCND1CCNE2CCNE1CDK2
SCHEMBL4385254 0.89 CDK4 (0.50) CDK4CCND1CCNE2CCNE1CDK2
SCHEMBL1116320 0.88 CDK4 (0.48) CDK4CCND1CCNE2CCNE1CDK2
SCHEMBL1179348 0.88 CDK4 (0.48) CDK4CCND1CCNE2CCNE1CDK2

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-7786112-B2 Inhibitors of cyclin-dependent kinases, compositions and uses related thereto AGENNIX USA INC. (US) 2010-08-31 US disclosed
US-20100004207-A1 Inhibitors of cyclin-dependent kinases, compositions and uses related thereto GPC BIOTECH INC. 2010-01-07 US disclosed
US-7605175-B2 Inhibitors of cyclin-dependent kinases, compositions and uses related thereto GPC BIOTECH AG (DE) 2009-10-20 US disclosed
US-7135550-B2 Compositions and methods for isolating ligand binding polypeptides for a user-specified ligand, and for isolating small molecule ligands for a user-specified target polypeptide using an improved class of hybrid ligand compounds GPC BIOTECH INC. (US) 2006-11-14 US disclosed
US-20040266854-A1 Inhibitors of cyclin-dependent kinases, compositions and uses related thereto GPC BIOTECH, INC. (US) 2004-12-30 US disclosed
US-20040266853-A1 Inhibitors of cyclin-dependent kinases, compositions and uses related thereto GPC BIOTECH, INC. (US) 2004-12-30 US disclosed
US-20040043388-A1 Three hybrid assay system GPC BIOTECH AG (DE) 2004-03-04 US disclosed
US-20030165873-A1 For isolating ligand binding polypeptides; fusion proteins; drug screening; kits; surface plasmon resonance GPC BIOTECH AG (DE) 2003-09-04 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 (5 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-20040266853-A1 Inhibitors of cyclin-dependent kinases, compositions and uses related thereto CDK1, CCNO, CCNI CDK4 14/4885CCND1 55/4885CCNE2 65/4885
US-20030165873-A1 For isolating ligand binding polypeptides; fusion proteins; drug screening; kits; surface plasmon resonance MST1R, PLAUR, SPR CDK4 2673/4885CCND1 4719/4885CCNE2 4668/4885
US-20100004207-A1 Inhibitors of cyclin-dependent kinases, compositions and uses related thereto CDK1, CCNO, CCNI CDK4 14/4885CCND1 55/4885CCNE2 65/4885
US-20040043388-A1 Three hybrid assay system ACKR3, KLK3, TIMCC CDK4 3168/4885CCND1 4756/4885CCNE2 4096/4885
US-20040266854-A1 Inhibitors of cyclin-dependent kinases, compositions and uses related thereto CDK1, CCNO, CCNI CDK4 14/4885CCND1 55/4885CCNE2 65/4885

“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.