SCHEMBL3255231

SCHEMBL3255231

OCCCOc1ccccc1Cl

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 6/20 0.56
MAPT P10636 3/20 0.56
TDP1 Q9NUW8 2/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
PKM P14618 1/20 0.56
CYP1A2 P05177 3/20 0.53
CYP2C19 P33261 3/20 0.53
CYP2D6 P10635 2/20 0.53
KCNH2 Q12809 1/20 0.53
DRD2 P14416 1/20 0.53
DRD4 P21917 1/20 0.53
DRD3 P35462 1/20 0.53
TSHR P16473 3/20 0.51
NPC1 O15118 3/20 0.51
RAB9A P51151 3/20 0.51
CYP3A4 P08684 2/20 0.51
TP53 P04637 1/20 0.51
HPGD P15428 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50

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
SCHEMBL8956162 0.92 L3MBTL1 (0.57) L3MBTL1MAPTTDP1MEN1KMT2A
SCHEMBL2094937 0.89 MEN1 (0.58) L3MBTL1MAPTTDP1MEN1KMT2A
SCHEMBL715500 0.84 LMNA (0.56) L3MBTL1MAPTTDP1MEN1KMT2A
SCHEMBL9808263 0.84 L3MBTL1 (0.68) L3MBTL1MAPTTDP1MEN1KMT2A
SCHEMBL30327643 0.84 LMNA (0.56) L3MBTL1MAPTTDP1MEN1KMT2A
SCHEMBL5660214 0.83 L3MBTL1 (0.59) L3MBTL1MAPTTDP1MEN1KMT2A
SCHEMBL10775846 0.82 L3MBTL1 (0.67) L3MBTL1MAPTTDP1MEN1KMT2A
SCHEMBL10775946 0.82 L3MBTL1 (0.67) L3MBTL1MAPTTDP1MEN1KMT2A
SCHEMBL43317 0.82 L3MBTL1 (0.67) L3MBTL1MAPTTDP1MEN1KMT2A
SCHEMBL14301015 0.82 TSHR (0.77) L3MBTL1TDP1MEN1KMT2APKM

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2029601-B1 PYRIDOPYRIMIDINONE DERIVATIVES HOFFMANN LA ROCHE (CH) 2010-06-02 EP disclosed
US-7572801-B2 Pyridopyrimidinone derivatives which are HM74A agonists HOFFMANN-LA ROCHE INC. (US) 2009-08-11 US disclosed
EP-2029601-A1 PYRIDOPYRIMIDINONE DERIVATIVES F. Hoffmann-Roche AG (CH) 2009-03-04 EP disclosed
US-20070275987-A1 Novel pyridopyprimidinone derivatives which are HM74A agonists HOFFMAN-LA ROCHE INC 2007-11-29 US disclosed
WO-2007134986-A1 PYRIDOPYRIMIDINONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-11-29 WO disclosed
US-7135466-B2 Quinoline and quinazoline derivatives and drugs containing the same KIRIN BEER KABUSHIKI KAISHA (JP) 2006-11-14 US disclosed
US-20060211717-A1 Quinoline and quinazoline derivatives and drugs containing the same KIRIN BEER KABUSHIKI KAISHA (JP) 2006-09-21 US disclosed
US-20040132727-A1 Quinoline and quinazoline derivatives and drugs containing the same KIRIN HOLDINGS KABUSHIKI KAISHA (JP) 2004-07-08 US disclosed
CN-1437598-A Novel indole derivatives LUNDBECK & CO AS H (DK) 2003-08-20 CN disclosed
CN-1414963-A novel heteroaryl derivatives, their preparation and use LUNDBECK & CO AS H (DK) 2003-04-30 CN disclosed
US-20030050307-A1 Novel indole derivatives H. LUNDBECK A/S (DK) 2003-03-13 US disclosed
US-20030050306-A1 Novel heteroaryl derivatives, their preparation and use H. LUNDBECK A/S (DK) 2003-03-13 US disclosed
EP-1246820-A1 NOVEL HETEROARYL DERIVATIVES, THEIR PREPARATION AND USE H. LUNDBECK A/S (DK) 2002-10-09 EP disclosed
EP-1246818-A1 NOVEL INDOLE DERIVATIVES H. LUNDBECK A/S (DK) 2002-10-09 EP disclosed
EP-1243582-A1 QUINOLINE AND QUINAZOLINE DERIVATIVES AND DRUGS CONTAINING THE SAME KIRIN BEER KABUSHIKI KAISHA (JP) 2002-09-25 EP disclosed
WO-2001049680-A1 NOVEL INDOLE DERIVATIVES H. LUNDBECK A/S (DK) 2001-07-12 WO disclosed
WO-2001049683-A1 NOVEL HETEROARYL DERIVATIVES, THEIR PREPARATION AND USE H. LUNDBECK A/S (DK) 2001-07-12 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 (5 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-20030050306-A1 Novel heteroaryl derivatives, their preparation and use CRBN, CDR2, DRD3 L3MBTL1 2836/4885MAPT 3321/4885TDP1 4753/4885
US-20060211717-A1 Quinoline and quinazoline derivatives and drugs containing the same PDGFRA, PDGFRB, PDGFA L3MBTL1 1545/4885MAPT 4495/4885TDP1 1586/4885
US-20070275987-A1 Novel pyridopyprimidinone derivatives which are HM74A agonists GPR119, HCAR1, GPR84 L3MBTL1 4479/4885MAPT 4450/4885TDP1 1865/4885
US-20040132727-A1 Quinoline and quinazoline derivatives and drugs containing the same PDGFRA, PDGFRB, PDGFA L3MBTL1 1895/4885MAPT 4476/4885TDP1 2348/4885
US-20030050307-A1 Novel indole derivatives HTR1A, HTR3C, HTR2C L3MBTL1 2096/4885MAPT 3433/4885TDP1 4106/4885

“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.