SCHEMBL18399112

SCHEMBL18399112

CN1CCOCC1c1ccc2cn[nH]c2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.45
SLC6A4 P31645 2/20 0.45
SLC6A3 Q01959 2/20 0.45
NUDT1 P36639 1/20 0.41
PLK4 O00444 4/20 0.39
CYP2C19 P33261 1/20 0.39
FLT3 P36888 1/20 0.39
AURKB Q96GD4 1/20 0.39
PDGFRB P09619 1/20 0.39
PDGFRA P16234 1/20 0.39
KDM4E B2RXH2 3/20 0.38
MAPT P10636 2/20 0.38
NPC1 O15118 1/20 0.38
LMNA P02545 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PIK3CA P42336 2/20 0.38
MAOB P27338 1/20 0.38
NOS1 P29475 2/20 0.38
DYRK1A Q13627 2/20 0.38

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
SCHEMBL21796601 0.72 KDM1A (0.41) SLC6A2SLC6A4SLC6A3PLK4CYP2C19
SCHEMBL18399110 0.72 SLC6A2 (0.50) SLC6A2SLC6A4SLC6A3PLK4CYP2C19
SCHEMBL29728069 0.69 SYK (0.59) PLK4FLT3PDGFRBPDGFRAKDM4E
SCHEMBL18399012 0.69 SYK (0.59) PLK4FLT3PDGFRBPDGFRAKDM4E
SCHEMBL30433564 0.68 MDM2 (0.39) MAPTLMNAKMT2A
SCHEMBL2606078 0.68 ATR (0.40) KDM4EMAPTMAOB
SCHEMBL27367885 0.68 ATR (0.40) KDM4EMAPTMAOB
SCHEMBL13634754 0.68 CCNC (0.42) SLC6A3SMN1; SMN2MAOB
SCHEMBL24465524 0.68 MAOB (0.43) MAOBMTOR
SCHEMBL22425352 0.68 MAOB (0.43) MAOBMTOR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108137510-B Compound (I) 葛兰素史密斯克莱知识产权发展有限公司 2021-07-20 CN disclosed
US-10975081-B2 Substituted fused pyrazole compounds and their use as LRRK2 inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2021-04-13 US disclosed
US-10975081-B2 Substituted fused pyrazole compounds and their use as LRRK2 inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2021-04-13 US disclosed
EP-3325449-B1 HETEROCYCLIC COMPOUNDS, PARTICULARLY PYRIMIDINYLINDAZOLE COMPOUNDS FOR TREATING PARKINSON'S DISEASE GLAXOSMITHKLINE IP DEV LTD (GB) 2021-01-13 EP disclosed
EP-3325449-B1 HETEROCYCLIC COMPOUNDS, PARTICULARLY PYRIMIDINYLINDAZOLE COMPOUNDS FOR TREATING PARKINSON'S DISEASE GLAXOSMITHKLINE IP DEV LTD (GB) 2021-01-13 EP disclosed
US-20200079777-A1 COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2020-03-12 US disclosed
EP-3325449-A1 COMPOUNDS GlaxoSmithKline Intellectual Property Development Limited (GB) 2018-05-30 EP disclosed
WO-2017012576-A1 COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-01-26 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 (2 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-10975081-B2 Substituted fused pyrazole compounds and their use as LRRK2 inhibitors LRRK2, PARK7, PINK1 SLC6A2 2562/4885SLC6A4 3133/4885SLC6A3 634/4885
US-20200079777-A1 COMPOUNDS LRRK2, PARK7, PINK1 SLC6A2 3355/4885SLC6A4 4360/4885SLC6A3 2281/4885

“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.