SCHEMBL5634409

SCHEMBL5634409

O=c1cnc2cnc(Nc3ccc(N4CCC(CCCc5nnn[nH]5)CC4)cc3)nc2n1C1CCCC1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 19/20 0.65
CDK6 Q00534 4/20 0.65
CCND1 P24385 18/20 0.59
CCND2 P30279 13/20 0.59
CCND3 P30281 13/20 0.59
CDK2 P24941 8/20 0.59
CCNE1 P24864 7/20 0.59
CCNE2 O96020 6/20 0.59
CCNA2 P20248 6/20 0.52
CCNA1 P78396 5/20 0.52
FGFR1 P11362 4/20 0.52
FGFR2 P21802 4/20 0.52
FGFR4 P22455 4/20 0.52
FGFR3 P22607 4/20 0.52
CCNB2 O95067 3/20 0.50
CDK1 P06493 3/20 0.50
CCNB1 P14635 3/20 0.50
CCNB3 Q8WWL7 3/20 0.50
NUAK1 O60285 1/20 0.49
USP2 O75604 1/20 0.49

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
SCHEMBL7070558 0.87 CDK4 (0.75) CDK4CCND1CCND2CCND3CDK2
SCHEMBL5633365 0.83 CDK4 (0.77) CDK4CDK6CCND1CCND2CCND3
SCHEMBL7075179 0.83 CDK4 (0.67) CDK4CCND1CCND2CCND3CDK2
SCHEMBL7076524 0.83 CDK4 (0.67) CDK4CCND1CCND2CCND3CDK2
SCHEMBL5634682 0.82 CDK4 (0.66) CDK4CDK6CCND1CCND2CCND3
SCHEMBL5520444 0.80 CDK4 (1.00) CDK4CDK6CCND1CCND2CCND3
SCHEMBL29170272 0.79 CDK4 (0.80) CDK4CDK6CCND1CCND2CCND3
SCHEMBL5516177 0.78 CDK4 (0.82) CDK4CDK6CCND1CCND2CCND3
SCHEMBL5514041 0.77 CDK4 (0.80) CDK4CDK6CCND1CCND2CCND3
SCHEMBL29170276 0.76 CDK4 (0.73) CDK4CDK6CCND1CCND2CCND3

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-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-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

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 5/4885CDK6 16/4885CCND1 32/4885
US-20070049600-A1 PTERIDINONES AS KINASE INHIBITORS CCNI, CCNK, CDK2 CDK4 5/4885CDK6 23/4885CCND1 21/4885

“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.