SCHEMBL5512844

SCHEMBL5512844

CN1CC(=O)N(C2CCCC2)c2nc(Nc3ccc(N4CCN(CC(=O)O)CC4)cc3)ncc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RPS6KA6 Q9UK32 2/20 0.49
CDK4 P11802 10/20 0.48
CCND1 P24385 9/20 0.48
CCNE1 P24864 4/20 0.48
CDK2 P24941 4/20 0.48
CDK6 Q00534 3/20 0.48
CCNT1 O60563 2/20 0.48
CDK9 P50750 2/20 0.48
CCND2 P30279 4/20 0.48
CCND3 P30281 4/20 0.48
WEE1 P30291 1/20 0.46
CCNE2 O96020 3/20 0.46
CCNA2 P20248 2/20 0.46
CCNA1 P78396 2/20 0.46
PAK4 O96013 1/20 0.46
PAK1 Q13153 1/20 0.46
PKN1 Q16512 1/20 0.46
CCNB2 O95067 1/20 0.46
CDK1 P06493 1/20 0.46
FGFR1 P11362 1/20 0.46

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
SCHEMBL5520417 0.90 CDK4 (0.59) RPS6KA6CDK4CCND1CCNE1CDK2
SCHEMBL5523087 0.87 CDK4 (0.57) RPS6KA6CDK4CCND1CCNE1CDK2
SCHEMBL5519312 0.85 CDK4 (0.56) RPS6KA6CDK4CCND1CCNE1CDK2
SCHEMBL5525641 0.85 RPS6KA6 (0.61) RPS6KA6CDK4CCND1CCNE1CDK2
SCHEMBL5514445 0.80 CDK4 (0.44) RPS6KA6CDK4CCND1CCNE1CDK2
SCHEMBL5523371 0.79 BRD4 (0.42) RPS6KA6CDK4CCND1CCNE1CDK2
SCHEMBL29170276 0.75 CDK4 (0.73) CDK4CCND1CCNE1CDK2CDK6
SCHEMBL30729218 0.75 CDK4 (0.73) CDK4CCND1CCNE1CDK2CDK6
SCHEMBL7715488 0.74 RPS6KA6 (0.64) RPS6KA6CDK4CCND1CCNE1CDK2
SCHEMBL5517487 0.74 CDK4 (0.47) RPS6KA6CDK4CCND1CCNE1CDK2

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 RPS6KA6 294/4885CDK4 5/4885CCND1 32/4885
US-20070049600-A1 PTERIDINONES AS KINASE INHIBITORS CCNI, CCNK, CDK2 RPS6KA6 343/4885CDK4 5/4885CCND1 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.