SCHEMBL5119795

SCHEMBL5119795

CSc1nc(C)c2cc(Cl)c(=O)n(C3CCCC3)c2n1

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 18/20 0.47
MTOR P42345 2/20 0.43
CCNT1 O60563 1/20 0.41
CDK9 P50750 1/20 0.41

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
SCHEMBL1984784 0.85 PIK3CA (0.58) PIK3CAMTOR
SCHEMBL8214200 0.83 PIK3CA (0.47) PIK3CAMTOR
SCHEMBL13439636 0.83 PIK3CA (0.43) PIK3CAMTOR
SCHEMBL1983467 0.83 PIK3CA (0.58) PIK3CAMTOR
SCHEMBL27361395 0.79 CDK2 (0.55) CCNT1CDK9
SCHEMBL1984858 0.79 PIK3CA (0.51) PIK3CAMTOR
SCHEMBL5900336 0.79 PIK3CA (0.48) PIK3CAMTOR
SCHEMBL4220929 0.79 MEN1 (0.41) PIK3CAMTORCCNT1CDK9
SCHEMBL5115244 0.78 MEN1 (0.43) PIK3CACCNT1CDK9
SCHEMBL1986399 0.77 MTOR (0.75) PIK3CAMTOR

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 1530/4885CCNT1 98/4885

“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.