SCHEMBL5519294

SCHEMBL5519294

Cc1nc2cnc(Nc3ccc(N4CCOCC4)cc3)nc2n(C2CCCC2)c1=O

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 17/20 0.77
CCND1 P24385 15/20 0.77
CDK6 Q00534 8/20 0.77
CCND2 P30279 6/20 0.68
CCND3 P30281 6/20 0.68
CDK2 P24941 6/20 0.68
CCNE1 P24864 5/20 0.68
CCNB2 O95067 4/20 0.68
CDK1 P06493 4/20 0.68
CCNB1 P14635 4/20 0.68
CCNB3 Q8WWL7 4/20 0.68
CCNA2 P20248 4/20 0.68
CCNE2 O96020 4/20 0.68
CCNA1 P78396 3/20 0.68
CYP1A2 P05177 2/20 0.67
CYP3A4 P08684 2/20 0.67
HSD17B10 Q99714 2/20 0.67
CASP1 P29466 1/20 0.67
CASP7 P55210 1/20 0.67
CLK4 Q9HAZ1 1/20 0.67

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
SCHEMBL5520815 0.90 CDK4 (0.77) CDK4CCND1CDK6CCND2CCND3
SCHEMBL30724198 0.87 CDK4 (1.00) CDK4CCND1CDK6CCND2CCND3
SCHEMBL5516177 0.86 CDK4 (0.82) CDK4CCND1CDK6CCND2CCND3
SCHEMBL6938615 0.83 CDK4 (0.82) CDK4CCND1CDK6CCND2CCND3
SCHEMBL6943064 0.83 CDK4 (0.82) CDK4CCND1CDK6CCND2CCND3
SCHEMBL30724193 0.83 CDK4 (0.81) CDK4CCND1CDK6CCND2CCND3
SCHEMBL5634391 0.82 CDK2 (0.78) CDK4CCND1CDK6CCND2CCND3
SCHEMBL5524764 0.82 CDK2 (0.81) CDK4CCND1CDK6CCND2CCND3
SCHEMBL5634313 0.82 CYP1A2 (0.68) CDK4CCND1CDK6CCND2CCND3
SCHEMBL10192614 0.81 CDK4 (1.00) CDK4CCND1CDK6CCND2CCND3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7169778-B2 Pteridinones as kinase inhibitors WARNER-LAMBERT COMPANY (US) 2007-01-30 US claimed
EP-1409487-A1 PTERIDINONES AS KINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-04-21 EP claimed
US-20030130286-A1 Pteridinones as kinase inhibitors DENNY WILLIAM ALEXANDER (NZ) 2003-07-10 US claimed
WO-2001019825-A1 PTERIDINONES AS KINASE INHIBITORS WARNER-LAMBERT COMPANY (US) 2001-03-22 WO claimed
US-20070049600-A1 PTERIDINONES AS KINASE INHIBITORS WARNER-LAMBERT COMPANY 2007-03-01 US disclosed
US-20070049600-A1 PTERIDINONES AS KINASE INHIBITORS WARNER-LAMBERT COMPANY 2007-03-01 US disclosed
US-20070049600-A1 PTERIDINONES AS KINASE INHIBITORS WARNER-LAMBERT COMPANY 2007-03-01 US disclosed
US-7169778-B2 Pteridinones as kinase inhibitors WARNER-LAMBERT COMPANY (US) 2007-01-30 US disclosed
US-7169778-B2 Pteridinones as kinase inhibitors WARNER-LAMBERT COMPANY (US) 2007-01-30 US disclosed
EP-1409487-A1 PTERIDINONES AS KINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-04-21 EP disclosed
US-20030130286-A1 Pteridinones as kinase inhibitors DENNY WILLIAM ALEXANDER (NZ) 2003-07-10 US disclosed
WO-2001019825-A1 PTERIDINONES AS KINASE INHIBITORS WARNER-LAMBERT COMPANY (US) 2001-03-22 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 (2 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-20030130286-A1 Pteridinones as kinase inhibitors CCNI, CCNK, CDK2 CDK4 5/4885CCND1 32/4885CDK6 16/4885
US-20070049600-A1 PTERIDINONES AS KINASE INHIBITORS CCNI, CCNK, CDK2 CDK4 5/4885CCND1 21/4885CDK6 23/4885

“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.