SCHEMBL5524764

SCHEMBL5524764

O=c1[nH]c2cnc(Nc3ccc(N4CCOCC4)cc3)nc2n(C2CCCC2)c1=O

nearest known ligand 0.81

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 12/20 0.81
CCNE2 O96020 6/20 0.81
CCNE1 P24864 6/20 0.81
CDK4 P11802 19/20 0.67
CCND1 P24385 17/20 0.67
CCNA2 P20248 11/20 0.67
CCND2 P30279 8/20 0.67
CCND3 P30281 8/20 0.67
CCNA1 P78396 6/20 0.67
CCNB2 O95067 5/20 0.67
CDK1 P06493 5/20 0.67
CCNB1 P14635 5/20 0.67
CCNB3 Q8WWL7 5/20 0.67
CDK6 Q00534 4/20 0.65
AURKA O14965 1/20 0.59
FGFR1 P11362 7/20 0.57
FGFR2 P21802 7/20 0.57
FGFR4 P22455 7/20 0.57
FGFR3 P22607 7/20 0.57

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
SCHEMBL12639612 0.90 CDK4 (0.69) CDK2CCNE2CCNE1CDK4CCND1
SCHEMBL5517501 0.90 CDK2 (1.00) CDK2CCNE2CCNE1CDK4CCND1
SCHEMBL5519294 0.82 CDK4 (0.77) CDK2CCNE2CCNE1CDK4CCND1
SCHEMBL10192614 0.81 CDK4 (1.00) CDK2CCNE2CCNE1CDK4CCND1
SCHEMBL12639632 0.80 CDK4 (0.56) CDK2CCNE2CCNE1CDK4CCND1
SCHEMBL12639242 0.80 CDK2 (0.83) CDK2CCNE2CCNE1CDK4CCND1
SCHEMBL5516177 0.80 CDK4 (0.82) CDK2CCNE2CCNE1CDK4CCND1
SCHEMBL6938615 0.79 CDK4 (0.82) CDK2CCNE2CCNE1CDK4CCND1
SCHEMBL6943064 0.79 CDK4 (0.82) CDK2CCNE2CCNE1CDK4CCND1
SCHEMBL10050960 0.79 CDK4 (0.82) CDK2CCNE2CCNE1CDK4CCND1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070049600-A1 PTERIDINONES AS KINASE INHIBITORS WARNER-LAMBERT COMPANY 2007-03-01 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-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
US-7169778-B2 Pteridinones as kinase inhibitors WARNER-LAMBERT COMPANY (US) 2007-01-30 US disclosed
US-20030130286-A1 Pteridinones as kinase inhibitors DENNY WILLIAM ALEXANDER (NZ) 2003-07-10 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 (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 CDK2 3/4885CCNE2 21/4885CCNE1 11/4885
US-20070049600-A1 PTERIDINONES AS KINASE INHIBITORS CCNI, CCNK, CDK2 CDK2 3/4885CCNE2 41/4885CCNE1 20/4885

“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.