SCHEMBL5113562

SCHEMBL5113562

COC(=O)c1cc(Nc2nc(C)c3ccc(=O)n(CCC4CC4)c3n2)cn1C

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 2/20 0.45
P2RX3 P56373 2/20 0.40
JAK3 P52333 11/20 0.39
AURKA O14965 5/20 0.38
CDK1 P06493 5/20 0.38
AURKB Q96GD4 5/20 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
SCHEMBL5247935 0.86 PIK3CA (0.44) PIK3CAJAK3
SCHEMBL5120764 0.85 AURKA (0.40) PIK3CAP2RX3AURKACDK1AURKB
SCHEMBL5128100 0.84 CDK1 (0.42) PIK3CAAURKACDK1AURKB
SCHEMBL5113318 0.83 CDK1 (0.46) PIK3CAAURKACDK1AURKB
SCHEMBL5119187 0.83 CDK1 (0.46) PIK3CAAURKACDK1AURKB
SCHEMBL5126819 0.81 CDK4 (0.41) PIK3CAP2RX3AURKACDK1AURKB
SCHEMBL5128102 0.79 P2RX3 (0.38) P2RX3AURKACDK1AURKB
SCHEMBL5119191 0.79 CDK4 (0.41) P2RX3AURKACDK1AURKB
SCHEMBL3339263 0.76 CDK4 (0.44) PIK3CACDK1
SCHEMBL5121031 0.76 PIK3CA (0.46) PIK3CAP2RX3AURKACDK1AURKB

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 PIK3CA 209/4885P2RX3 32/4885JAK3 36/4885

“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.