SCHEMBL5121058

SCHEMBL5121058

Cc1nc(Nc2cc(C(=O)O)n(C)c2)nc2c1ccc(=O)n2C1CCOCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 10/20 0.44
AURKA O14965 8/20 0.44
AURKB Q96GD4 8/20 0.44
CDK4 P11802 9/20 0.42
CCND1 P24385 9/20 0.42
CCND2 P30279 9/20 0.42
CCND3 P30281 9/20 0.42
CCNB2 O95067 2/20 0.42
CCNB1 P14635 2/20 0.42
CCNB3 Q8WWL7 2/20 0.42
MAPK8 P45983 1/20 0.39
MAPK9 P45984 1/20 0.39
MAPK10 P53779 1/20 0.39
CCNA2 P20248 2/20 0.39
CDK2 P24941 2/20 0.39
CCNE2 O96020 1/20 0.39
CCNE1 P24864 1/20 0.39
CCNA1 P78396 1/20 0.39
NUAK1 O60285 2/20 0.38
MARK3 P27448 1/20 0.38

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
SCHEMBL5126819 0.91 CDK4 (0.41) CDK1AURKAAURKBCDK4CCND1
SCHEMBL5112908 0.91 CDK1 (0.51) CDK1AURKAAURKBCDK4CCND1
SCHEMBL5120113 0.91 CDK1 (0.51) CDK1AURKAAURKBCDK4CCND1
SCHEMBL5113505 0.86 AURKA (0.44) CDK1AURKAAURKBCDK4CCND1
SCHEMBL5120764 0.84 AURKA (0.40) CDK1AURKAAURKBCDK4CCND1
SCHEMBL5128100 0.83 CDK1 (0.42) CDK1AURKAAURKBCDK4CCND1
SCHEMBL5113318 0.82 CDK1 (0.46) CDK1AURKAAURKBCDK4CCND1
SCHEMBL5127329 0.79 CDK4 (0.44) CDK1AURKAAURKBCDK4CCND1
SCHEMBL5126787 0.79 CDK1 (0.49) CDK1AURKAAURKBCDK4CCND1
SCHEMBL5112913 0.78 CDK4 (0.43) CDK1AURKAAURKBCDK4CCND1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080255162-A1 Pyrrolyl Substituted Pyrido[2,3-D]Pyrimidin-7-Ones and Derivatives Thereof as Therapeutic Agents WARNER-LAMBERT COMPANY LLC 2008-10-16 US disclosed
EP-1749004-B1 PYRROLYL SUBSTITUTED PYRIDO[2,3-D]PYRIMIDIN-7-ONES AND DERIVATIVES THEREOF AS THERAPEUTIC AGENTS WARNER LAMBERT CO (US) 2007-09-19 EP disclosed
EP-1749004-A1 PYRROLYL SUBSTITUTED PYRIDO[2,3-D]PYRIMIDIN-7-ONES AND DERIVATIVES THEREOF AS THERAPEUTIC AGENTS Warner-Lambert Company LLC (US) 2007-02-07 EP disclosed
WO-2005105801-A1 PYRROLYL SUBSTITUTED PYRIDO[2,3-D]PYRIMIDIN-7-ONES AND DERIVATIVES THEREOF AS THERAPEUTIC AGENTS WARNER-LAMBERT COMPANY LLC (US) 2005-11-10 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 (1 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-20080255162-A1 Pyrrolyl Substituted Pyrido[2,3-D]Pyrimidin-7-Ones and Derivatives Thereof as Therapeutic Agents TYMS, DPYD, TYMP CDK1 252/4885AURKA 2195/4885AURKB 1542/4885

“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.