SCHEMBL1625119

SCHEMBL1625119

CCOC(=O)C1NC=NNC1=O

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.40
LMNA P02545 1/20 0.39
KDM4E B2RXH2 3/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
ALDH1A1 P00352 3/20 0.36
MAPT P10636 2/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
TDP2 O95551 1/20 0.35
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.33

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
SCHEMBL9879740 0.73 RAB9A (0.42) RAB9ALMNAKDM4EMEN1KMT2A
SCHEMBL16487312 0.72 RAB9A (0.44) RAB9ALMNAKDM4EMEN1KMT2A
Benzene SCHEMBL27598160 0.68 RAB9A (0.55) RAB9ALMNAKDM4EMEN1KMT2A
SCHEMBL10758398 0.66 ALDH1A1 (0.47) LMNAKDM4EMEN1KMT2ACYP1A2
SCHEMBL16612459 0.65 TSHR (0.41) RAB9AKDM4EMEN1KMT2ACYP1A2
SCHEMBL19463937 0.65 RAB9A (0.63) RAB9ALMNAKDM4EMEN1KMT2A
SCHEMBL11750010 0.65 TDP2 (0.40) RAB9AKDM4EMEN1KMT2ACYP1A2
SCHEMBL16612335 0.64 RAB9A (0.42) RAB9ALMNAKDM4EMEN1KMT2A
SCHEMBL10831751 0.63 L3MBTL1 (0.39) RAB9ALMNAKDM4EMEN1KMT2A
SCHEMBL1933223 0.61 KDM4E (0.38) LMNAKDM4EMEN1KMT2ACYP1A2

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-7928106-B2 2-[2-(2,5-Difluoro-phenyl)-ethoxymethyl]-3H-pteridin-4-one; 2-2-(3-Fluoro-phenyl)-ethoxymethyl]-3H-pyrimido[4,5-d]pyrimidin-4-one; (5-Oxo-5,6-dihydro-pyrimido[4,5-c]pyridazin-7-ylmethyl)-carbamic acid benzyl ester, useful in treating diseases which are modulated by HM74A agonists e.g. dyslipidemia HOFFMANN-LA ROCHE INC. (US) 2011-04-19 US disclosed
EP-2139895-A1 AZA-PYRIDOPYRIMIDINONE DERIVATIVES F. Hoffmann-Roche AG (CH) 2010-01-06 EP disclosed
WO-2008116742-A1 AZA-PYRIDOPYRIMIDINONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2008-10-02 WO disclosed
US-20080234277-A1 NOVEL AZA-PYRIDOPYRIMIDINONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2008-09-25 US 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-20080234277-A1 NOVEL AZA-PYRIDOPYRIMIDINONE DERIVATIVES CHRM1, CHRM2, CHRM4 RAB9A 1229/4885LMNA 1715/4885KDM4E 1258/4885

“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.