SCHEMBL5120329

SCHEMBL5120329

CCOC(=O)c1cc(N)cn1C(C)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 6/20 0.60
GABRB2 P47870 6/20 0.60
CYP1A2 P05177 2/20 0.60
CYP3A4 P08684 2/20 0.60
CYP11B1 P15538 2/20 0.60
CYP11B2 P19099 2/20 0.60
LMNA P02545 2/20 0.60
CYP2C9 P11712 1/20 0.60
CYP2C19 P33261 1/20 0.60
ABCB11 O95342 1/20 0.60
GABRA2 P47869 1/20 0.60
ALDH1A1 P00352 6/20 0.45
HSD17B10 Q99714 4/20 0.45
MAPT P10636 4/20 0.45
HPGD P15428 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
KDM4E B2RXH2 3/20 0.45
RAB9A P51151 2/20 0.45
MEN1 O00255 1/20 0.45
NPC1 O15118 1/20 0.45

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
SCHEMBL6867511 0.85 GABRA1 (0.60) GABRA1GABRB2CYP1A2CYP3A4CYP11B1
SCHEMBL5118750 0.82 ADORA3 (0.44) GABRA1GABRB2CYP1A2CYP3A4CYP11B1
SCHEMBL6867476 0.81 GABRA1 (0.57) GABRA1GABRB2CYP1A2CYP3A4CYP11B1
SCHEMBL6868305 0.79 GABRA1 (0.66) GABRA1GABRB2CYP1A2CYP3A4CYP11B1
Amidate SCHEMBL22502728 0.77 GABRA1 (0.97) GABRA1GABRB2CYP1A2CYP3A4CYP11B1
Amidate SCHEMBL39485 0.75 GABRA1 (1.00) GABRA1GABRB2CYP1A2CYP3A4CYP11B1
Amidate SCHEMBL1817757 0.75 GABRA1 (1.00) GABRA1GABRB2CYP1A2CYP3A4CYP11B1
S-Etomidate SCHEMBL39486 0.75 GABRA1 (1.00) GABRA1GABRB2CYP1A2CYP3A4CYP11B1
Etomidate SCHEMBL39487 0.75 GABRA1 (1.00) GABRA1GABRB2CYP1A2CYP3A4CYP11B1
Amidate SCHEMBL28276 0.75 GABRA1 (0.93) GABRA1GABRB2CYP1A2CYP3A4CYP11B1

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 GABRA1 3240/4885GABRB2 3942/4885CYP1A2 928/4885

“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.