SCHEMBL4980408

SCHEMBL4980408

COCCOc1ccc2[nH]ncc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.52
RAB9A P51151 4/20 0.47
NPC1 O15118 3/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
NOS1 P29475 3/20 0.45
ROCK2 O75116 3/20 0.45
METAP2 P50579 1/20 0.45
CSNK2A1 P68400 1/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.45
ROCK1 Q13464 1/20 0.45
HIF1A Q16665 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
CYP2D6 P10635 1/20 0.44
SLC6A2 P23975 1/20 0.44

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
SCHEMBL4978879 0.88 FGFR1 (0.51) MAOBRAB9ANPC1MEN1KMT2A
SCHEMBL31134083 0.88 FGFR1 (0.51) MAOBRAB9ANPC1MEN1KMT2A
SCHEMBL5415150 0.84 DYRK3 (0.53) MAOBRAB9ANPC1MEN1KMT2A
SCHEMBL9332368 0.83 MAOB (0.48) MAOBRAB9ANPC1MEN1KMT2A
SCHEMBL25921681 0.83 MAOB (0.47) MAOBRAB9ANPC1MEN1KMT2A
SCHEMBL16023545 0.83 NOS1 (0.50) MAOBRAB9ANPC1MEN1KMT2A
SCHEMBL14863544 0.83 NOS1 (0.50) MAOBRAB9ANPC1MEN1KMT2A
SCHEMBL5410655 0.83 ROCK2 (0.50) MAOBRAB9ANPC1MEN1KMT2A
SCHEMBL3537344 0.82 RAB9A (0.60) MAOBRAB9ANPC1MEN1KMT2A
SCHEMBL5415296 0.82 MAOB (0.47) MAOBRAB9ANPC1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2964221-B1 COMPOUNDS INHIBITING LEUCINE-RICH REPEAT KINASE ENZYME ACTIVITY MERCK SHARP & DOHME (US) 2017-12-06 EP disclosed
US-9440952-B2 Compounds inhibiting leucine-rich repeat kinase enzyme activity MERCK SHARP & DOHME CORP. (US) 2016-09-13 US disclosed
US-9416126-B2 Compounds inhibiting leucine-rich repeat kinase enzyme activity MERCK SHARP & DOHME CORP. (US) 2016-08-16 US disclosed
US-20160009696-A1 COMPOUNDS INHIBITING LEUCINE-RICH REPEAT KINASE ENZYME ACTIVITY MERCK SHARP & DOHME LLC 2016-01-14 US disclosed
US-20160009682-A1 COMPOUNDS INHIBITING LEUCINE-RICH REPEAT KINASE ENZYME ACTIVITY MERCK SHARP & DOHME LLC 2016-01-14 US disclosed
WO-2014134772-A1 COMPOUNDS INHIBITING LEUCINE-RICH REPEAT KINASE ENZYME ACTIVITY MERCK SHARP & DOHME CORP. (US) 2014-09-12 WO disclosed
WO-2014137719-A1 COMPOUNDS INHIBITING LEUCINE-RICH REPEAT KINASE ENZYME ACTIVITY MERCK SHARP & DOHME CORP. (US) 2014-09-12 WO disclosed
WO-2014137728-A1 COMPOUNDS INHIBITING LEUCINE-RICH REPEAT KINASE ENZYME ACTIVITY MERCK SHARP & DOHME CORP. (US) 2014-09-12 WO disclosed
EP-1991540-A1 CINNOLINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS Amgen Inc. (US) 2008-11-19 EP disclosed
US-20070265270-A1 Cinnoline derivatives as phosphodiesterase 10 inhibitors MEMORY PHARMACEUTICALS CORPORATION 2007-11-15 US disclosed
WO-2007098214-A1 CINNOLINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS AMGEN INC. (US) 2007-08-30 WO disclosed
US-7199147-B2 Rho kinase inhibitors DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-04-03 US disclosed
US-20040138286-A1 Rho kinase inhibitors DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2004-07-15 US disclosed
EP-1403255-A1 Rho KINASE INHIBITORS SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2004-03-31 EP 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 (4 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-20160009682-A1 COMPOUNDS INHIBITING LEUCINE-RICH REPEAT KINASE ENZYME ACTIVITY LRRK2, LRRC47, LIMK2 MAOB 1303/4885RAB9A 605/4885NPC1 1850/4885
US-20160009696-A1 COMPOUNDS INHIBITING LEUCINE-RICH REPEAT KINASE ENZYME ACTIVITY LRRK2, LRRC47, LIMK2 MAOB 1303/4885RAB9A 605/4885NPC1 1850/4885
US-20070265270-A1 Cinnoline derivatives as phosphodiesterase 10 inhibitors PDE7A, PDE10A, PDE7B MAOB 173/4885RAB9A 237/4885NPC1 1686/4885
US-20040138286-A1 Rho kinase inhibitors ROCK1, ROCK2, ARHGDIA MAOB 2025/4885RAB9A 85/4885NPC1 837/4885

“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.