SCHEMBL5115189

SCHEMBL5115189

CCOC(=O)/C=C/c1c(C)nc(SC)nc1NC1CCCCCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
GABBR2 O75899 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
GABBR1 Q9UBS5 1/20 0.43
LMNA P02545 2/20 0.37
CNKSR1 Q969H4 1/20 0.36
NR2F2 P24468 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
ALDH1A1 P00352 2/20 0.36
NPC1 O15118 1/20 0.36
S1PR2 O95136 1/20 0.36
XBP1 P17861 1/20 0.36
RAB9A P51151 1/20 0.36
PPP1CA P62136 1/20 0.36
PPARG P37231 1/20 0.35
MAPT P10636 2/20 0.35

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
SCHEMBL5115196 1.00 MEN1 (0.43) MEN1KMT2ATDP1GABBR2CYP1A2
SCHEMBL3338943 0.86 CNKSR1 (0.34) MEN1KMT2ATDP1GABBR2CYP1A2
SCHEMBL8210284 0.86 ALOX15 (0.40) MEN1KMT2ALMNACNKSR1NR2F2
SCHEMBL6128342 0.83 ADORA3 (0.43) MEN1KMT2ALMNANR2F2NPSR1
SCHEMBL12231840 0.83 ADORA3 (0.43) MEN1KMT2ALMNANR2F2NPSR1
SCHEMBL4716299 0.82 MEN1 (0.41) MEN1KMT2ATDP1GABBR2CYP1A2
SCHEMBL4760645 0.82 MEN1 (0.41) MEN1KMT2ATDP1GABBR2CYP1A2
SCHEMBL1898974 0.82 CNKSR1 (0.40) LMNACNKSR1ALDH1A1RAB9AMAPT
SCHEMBL30498445 0.81 ALDH1A1 (0.41) MEN1KMT2ATDP1GABBR2CYP1A2
SCHEMBL16094578 0.81 ALDH1A1 (0.41) MEN1KMT2ATDP1GABBR2CYP1A2

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 MEN1 2335/4885KMT2A 3726/4885TDP1 464/4885

“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.