SCHEMBL5120764

SCHEMBL5120764

COC(=O)c1cc(Nc2nc(C)c3ccc(=O)n(C4CC4)c3n2)cn1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 12/20 0.40
CDK1 P06493 12/20 0.40
AURKB Q96GD4 12/20 0.40
CDK4 P11802 3/20 0.39
CCND1 P24385 3/20 0.39
CCND3 P30281 3/20 0.39
CCND2 P30279 2/20 0.39
CDK2 P24941 2/20 0.39
CCNA2 P20248 1/20 0.39
CCNA1 P78396 1/20 0.39
P2RX3 P56373 2/20 0.39
PIK3CA P42336 1/20 0.39
USP2 O75604 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
TSHR P16473 1/20 0.38
TTK P33981 1/20 0.38
CCNE1 P24864 1/20 0.38
CDK6 Q00534 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
SCHEMBL5128100 0.96 CDK1 (0.42) AURKACDK1AURKBCDK4CCND1
SCHEMBL5113318 0.95 CDK1 (0.46) AURKACDK1AURKBCDK4CCND1
SCHEMBL5119187 0.95 CDK1 (0.46) AURKACDK1AURKBCDK4CCND1
SCHEMBL5126819 0.94 CDK4 (0.41) AURKACDK1AURKBCDK4CCND1
SCHEMBL5126997 0.90 AURKA (0.47) AURKACDK1AURKBCDK4CCND1
SCHEMBL3339263 0.87 CDK4 (0.44) CDK1CDK4CCND1CCND3CCND2
SCHEMBL5120148 0.86 CDK1 (0.49) AURKACDK1AURKBCDK4CCND1
SCHEMBL5120113 0.86 CDK1 (0.51) AURKACDK1AURKBCDK4CCND1
SCHEMBL5112908 0.86 CDK1 (0.51) AURKACDK1AURKBCDK4CCND1
SCHEMBL5113562 0.85 PIK3CA (0.45) AURKACDK1AURKBP2RX3PIK3CA

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-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 claimed
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 claimed
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 claimed
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 claimed
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 AURKA 2195/4885CDK1 252/4885AURKB 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.