SCHEMBL5523087

SCHEMBL5523087

CC(=O)N1CCN(c2ccc(Nc3ncc4c(n3)N(C3CCCC3)C(=O)CN4C)cc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 5/20 0.57
CCND1 P24385 5/20 0.57
CCND2 P30279 1/20 0.57
CCND3 P30281 1/20 0.57
SYK P43405 12/20 0.54
ALK Q9UM73 1/20 0.53
CCNE1 P24864 1/20 0.52
CDK2 P24941 1/20 0.52
JAK2 O60674 1/20 0.51
JAK1 P23458 1/20 0.51
TYK2 P29597 1/20 0.51
JAK3 P52333 1/20 0.51
RPS6KA6 Q9UK32 1/20 0.51
CDK6 Q00534 2/20 0.50

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
SCHEMBL5519312 0.88 CDK4 (0.56) CDK4CCND1CCND2CCND3SYK
SCHEMBL5512844 0.87 RPS6KA6 (0.49) CDK4CCND1CCND2CCND3CCNE1
SCHEMBL5520417 0.87 CDK4 (0.59) CDK4CCND1CCND2CCND3SYK
SCHEMBL5525641 0.87 RPS6KA6 (0.61) CDK4CCND1CCND2CCND3CCNE1
SCHEMBL27582218 0.81 CDK4 (0.53) CDK4CCND1CCND2CCND3SYK
SCHEMBL5514445 0.81 CDK4 (0.44) CDK4CCND1CCND2CCND3CCNE1
SCHEMBL3972021 0.80 CDK4 (0.57) CDK4CCND1CCND2CCND3SYK
SCHEMBL5523371 0.80 BRD4 (0.42) CDK4CCND1CCND2CCND3CCNE1
SCHEMBL29055819 0.78 CDK4 (0.55) CDK4CCND1CCND2CCND3SYK
SCHEMBL7715488 0.76 RPS6KA6 (0.64) CDK4CCND1CCND2CCND3ALK

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 9 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-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 32/4885CCND2 31/4885
US-20070049600-A1 PTERIDINONES AS KINASE INHIBITORS CCNI, CCNK, CDK2 CDK4 5/4885CCND1 21/4885CCND2 27/4885

“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.