SCHEMBL5115426

SCHEMBL5115426

Cc1nc([S+](C)[O-])nc2c1ccc(=O)n2C1CCCCCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.39
ALOX15 P16050 1/20 0.39
CDK4 P11802 8/20 0.38
CCND1 P24385 8/20 0.38
CCND2 P30279 5/20 0.38
CCND3 P30281 5/20 0.38
PIK3CA P42336 6/20 0.37
CDK2 P24941 5/20 0.37
CCNE1 P24864 4/20 0.37
CCNT1 O60563 3/20 0.37
CDK9 P50750 3/20 0.37
CDK6 Q00534 3/20 0.37
CCNA2 P20248 2/20 0.37
FGFR1 P11362 1/20 0.37
FGFR2 P21802 1/20 0.37
FGFR4 P22455 1/20 0.37
FGFR3 P22607 1/20 0.37
CRHBP P24387 2/20 0.36
CRHR2 Q13324 2/20 0.36
GRM1 Q13255 1/20 0.36

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
SCHEMBL5121325 0.85 CCND1 (0.37) GAAALOX15CDK4CCND1CCND2
SCHEMBL4875852 0.81 CCND1 (0.55) CDK4CCND1CCND2CCND3CDK2
SCHEMBL5262718 0.81 CCND1 (0.55) CDK4CCND1CCND2CCND3CDK2
SCHEMBL29714345 0.80 CCND1 (0.54) CDK4CCND1CCND2CCND3CDK2
SCHEMBL4833110 0.80 CCND1 (0.54) CDK4CCND1CCND2CCND3CDK2
SCHEMBL8210294 0.80 PIK3CA (0.55) PIK3CA
SCHEMBL1982873 0.79 PIK3CA (0.58) PIK3CA
SCHEMBL5115417 0.79 PIK3CA (0.46) PIK3CA
SCHEMBL5115244 0.78 MEN1 (0.43) GAAALOX15CDK4CCND1CCND2
SCHEMBL4833532 0.77 CDK4 (0.52) CDK4CCND1CCND2CCND3PIK3CA

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 GAA 4368/4885ALOX15 1440/4885CDK4 37/4885

“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.