Sugi Predict

Sugi Predict / Compounds / SCHEMBL1625153

SCHEMBL1625153

SCHEMBL1625153

CCc1cnc(Cl)c(C(=O)O)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 2/20 0.44
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ ATM Q13315 1/20 0.35
▸ ALDH1A1 P00352 3/20 0.34
▸ NPC1 O15118 2/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ GABRP O00591 2/20 0.34
▸ GABRD O14764 2/20 0.34
▸ GABRA1 P14867 2/20 0.34
▸ GABRB1 P18505 2/20 0.34
▸ GABRG2 P18507 2/20 0.34
▸ GABRB3 P28472 2/20 0.34
▸ GABRA5 P31644 2/20 0.34
▸ GABRA3 P34903 2/20 0.34
▸ GABRA2 P47869 2/20 0.34
▸ GABRB2 P47870 2/20 0.34
▸ GABRA4 P48169 2/20 0.34
▸ GABRE P78334 2/20 0.34
▸ GABRA6 Q16445 2/20 0.34

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
SCHEMBL3868054 0.79 GABRP (0.41) TDP1MEN1KMT2AGABRPGABRD
SCHEMBL26287986 0.76 ALDH1A1 (0.44) TDP1MEN1KMT2AATMALDH1A1
SCHEMBL28226938 0.75 TDP1 (0.37) TDP1MEN1KMT2AALDH1A1NPC1
SCHEMBL3979134 0.75 GABRP (0.41) TDP1MEN1KMT2AALDH1A1NPC1
SCHEMBL6377192 0.75 MEN1 (0.46) TDP1MEN1KMT2AATMALDH1A1
SCHEMBL5701152 0.75 KDM4E (0.49) KMT2AATMALDH1A1NPC1SMN1; SMN2
SCHEMBL23213861 0.72 ATR (0.41) TDP1MEN1KMT2AATMALDH1A1
SCHEMBL26937774 0.71 MEN1 (0.40) TDP1MEN1KMT2AATMALDH1A1
SCHEMBL31241619 0.71 KDM4E (0.38) TDP1MEN1KMT2AALDH1A1GABRP
SCHEMBL11228799 0.71 NOS3 (0.32) —

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 5 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
CN-101641358-A Aza-pyridopyrimidinone derivatives HOFFMANN LA ROCHE CH 2010-02-03 — — CN 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 TDP1 1558/4885MEN1 1109/4885KMT2A 893/4885

“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.