SCHEMBL3047236

SCHEMBL3047236

CC1(C)Cc2cc(N)ccc2O1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 1/20 0.44
MAPT P10636 6/20 0.41
KDM4E B2RXH2 5/20 0.41
ALDH1A1 P00352 5/20 0.41
GAA P10253 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
MEN1 O00255 1/20 0.41
MITF O75030 1/20 0.41
MAPK1 P28482 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
LMNA P02545 3/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
HIF1A Q16665 6/20 0.36
EPAS1 Q99814 6/20 0.36
SSTR5 P35346 1/20 0.34
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 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
SCHEMBL18053881 0.85 MAPT (0.41) AKT1MAPTKDM4EALDH1A1GAA
SCHEMBL30781068 0.85 MAPT (0.41) AKT1MAPTKDM4EALDH1A1GAA
SCHEMBL10731723 0.82 ALDH1A1 (0.50) MAPTKDM4EALDH1A1GAASMN1; SMN2
SCHEMBL30991570 0.81 AKT1 (0.56) AKT1MAPTKDM4EALDH1A1GAA
SCHEMBL3701015 0.81 AKT1 (0.56) AKT1MAPTKDM4EALDH1A1GAA
SCHEMBL8104414 0.78 MAPT (0.41) MAPTKDM4EALDH1A1GAANPC1
SCHEMBL12035985 0.78 MAPT (0.41) MAPTKDM4EALDH1A1GAASMN1; SMN2
SCHEMBL14402862 0.77 AKT1 (0.41) AKT1MAPTKDM4EALDH1A1GAA
SCHEMBL30695902 0.77 AKT1 (0.41) AKT1MAPTKDM4EALDH1A1GAA
SCHEMBL31185052 0.77 MAPT (0.40) MAPTKDM4EALDH1A1GAASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240327388-A1 QUINOLINAMINE COMPOUND, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF IN PHARMACEUTICALS JIANGSU HENGRUI PHARMACEUTICALS CO., LTD. (CN) 2024-10-03 US disclosed
EP-4349831-A1 QUINOLINAMINE COMPOUND, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF IN PHARMACEUTICALS Jiangsu Hengrui Pharmaceuticals Co., Ltd. (CN) 2024-04-10 EP disclosed
WO-2024030651-A1 GPX4 INHIBITORS AND USE THEREOF SONATA THERAPEUTICS, INC. (US) 2024-02-08 WO disclosed
WO-2022247920-A1 QUINOLINAMINE COMPOUND, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF IN PHARMACEUTICALS 江苏恒瑞医药股份有限公司 2022-12-01 WO disclosed
CN-105026392-B 4,5-dihydro-pyrazolo [3, 4-c] pyrid-2-ones, preparation method and application thereof 四川海思科制药有限公司 2017-05-10 CN disclosed
WO-2014169845-A2 4,5-DIHYDRO-PYRAZOLO [3, 4-C] PYRID-2-ONES, PREPARATION METHOD AND APPLICATION THEREOF 四川海思科制药有限公司 (CN) 2014-10-23 WO disclosed
WO-2014169845-A2 4,5-DIHYDRO-PYRAZOLO [3, 4-C] PYRID-2-ONES, PREPARATION METHOD AND APPLICATION THEREOF 四川海思科制药有限公司 (CN) 2014-10-23 WO disclosed
CN-104109165-A 4,5-dihydro-pyrazolo[3,4-c]pyrid-2-one derivatives, and preparation method and application thereof SICHUAN HAISCO PHARMACEUTICAL CO LTD 2014-10-22 CN disclosed
EP-2393811-A1 4-AMINO-7,8-DIHYDROPYRIDO[4,3-D]PYRIMIDIN-5(6H)-ONE DERIVATIVES Pfizer Inc. (US) 2011-12-14 EP disclosed
WO-2010089686-A1 4-AMINO-7,8-DIHYDROPYRIDO[4,3-D]PYRIMIDIN-5(6H)-ONE DERIVATIVES PFIZER INC. (US) 2010-08-12 WO disclosed
US-20100197591-A1 4-AMINO-7,8-DIHYDROPYRIDO[4,3-d]PYRIMIDIN-5(6H)-ONE DERIVATIVES PFIZER INC 2010-08-05 US disclosed
US-4767779-A Pyrazoline-1-carboxamides, composition containing them, and insecticidal method of using them FMC CORPORATION (US) 1988-08-30 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 (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-20100197591-A1 4-AMINO-7,8-DIHYDROPYRIDO[4,3-d]PYRIMIDIN-5(6H)-ONE DERIVATIVES CDK7, DPYD, DHFR AKT1 2252/4885MAPT 2605/4885KDM4E 1629/4885
US-20240327388-A1 QUINOLINAMINE COMPOUND, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF IN PHARMACEUTICALS QARS1, THEM6, CYP4F11 AKT1 2525/4885MAPT 3133/4885KDM4E 2025/4885

“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.