SCHEMBL5115417

SCHEMBL5115417

Cc1nc([S+](C)[O-])nc2c1cc(Cl)c(=O)n2C1CCCC1

nearest known ligand 0.46

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 19/20 0.46
MTOR P42345 2/20 0.42

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
SCHEMBL1982873 0.86 PIK3CA (0.58) PIK3CAMTOR
SCHEMBL8210053 0.84 PIK3CA (0.46) PIK3CAMTOR
SCHEMBL1983711 0.80 PIK3CA (0.49) PIK3CAMTOR
SCHEMBL5119795 0.79 PIK3CA (0.47) PIK3CAMTOR
SCHEMBL5115426 0.79 GAA (0.39) PIK3CA
SCHEMBL4828668 0.74 CDK2 (0.53)
SCHEMBL6943809 0.74 CDK4 (0.51) PIK3CA
SCHEMBL4832622 0.74 CDK4 (0.51) PIK3CA
SCHEMBL2074839 0.74 CDK4 (0.51) PIK3CA
SCHEMBL29615723 0.74 CDK4 (0.51) PIK3CA

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 PIK3CA 209/4885MTOR 1530/4885

“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.