SCHEMBL122032

SCHEMBL122032

O=Cc1cnn(CCO)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIT P10721 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MET P08581 1/20 0.36
HDAC2 Q92769 3/20 0.35
NAMPT P43490 1/20 0.35
PRMT5 O14744 1/20 0.35
WDR77 Q9BQA1 1/20 0.35
PDK2 Q15119 3/20 0.33
KDM5B Q9UGL1 1/20 0.33
HDAC1 Q13547 1/20 0.33
FGFR1 P11362 1/20 0.32
FGFR2 P21802 1/20 0.32
FGFR4 P22455 1/20 0.32
FGFR3 P22607 1/20 0.32
KDR P35968 1/20 0.32
ETV6 P41212 1/20 0.32
AURKA O14965 1/20 0.32
IKBKE Q14164 1/20 0.32
TBK1 Q9UHD2 1/20 0.32
PSD A5PKW4 1/20 0.31

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
SCHEMBL3321417 0.89 PDK2 (0.36) L3MBTL1METHDAC2PDK2PSD
SCHEMBL31115874 0.81 MAPT (0.33) L3MBTL1HDAC2PSDMAPTTDP1
SCHEMBL1197473 0.81 L3MBTL1 (0.51) L3MBTL1HDAC2NAMPTPRMT5WDR77
SCHEMBL1436338 0.81 PSD (0.34) L3MBTL1HDAC2PSD
SCHEMBL13837589 0.81 KIT (0.36) KITL3MBTL1METHDAC2NAMPT
SCHEMBL23541176 0.80 EGLN3 (0.43) L3MBTL1HDAC2PDK2MAPTTDP1
SCHEMBL5965015 0.79 HTT (0.37) L3MBTL1HDAC2PDK2HDAC1MAPT
SCHEMBL26066445 0.78 KDM4E (0.32) L3MBTL1PSDMAPTTDP1
SCHEMBL177295 0.78 L3MBTL1 (0.41) L3MBTL1HDAC2HDAC1MAPTTDP1
SCHEMBL25962972 0.78 HDAC3 (0.34) HDAC2HDAC1

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 56 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117659010-A GCN2 inhibitors and uses thereof 默克专利股份有限公司 2024-03-08 CN disclosed
CN-111867581-B GCN2 inhibitors and uses thereof 默克专利股份有限公司 2023-12-26 CN disclosed
WO-2023154344-A1 2-METHYL-4',5'-DIHYDROSPIRO[PIPERIDINE-4,7'-THIENO[2,3-C]PYRAN] DERIVATIVES AS INHIBITORS OF APOL1 AND METHODS OF USING SAME VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-08-17 WO disclosed
WO-2023154314-A1 SPIRO PIPERIDINE DERIVATIVES AS INHIBITORS OF APOL1 AND METHODS OF USING SAME VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-08-17 WO disclosed
EP-3204382-B1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2021-12-01 EP disclosed
EP-3204382-B1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2021-12-01 EP disclosed
CN-111867581-A GCN2 inhibitors and uses thereof 默克专利股份有限公司 2020-10-30 CN disclosed
US-20190233417-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2019-08-01 US disclosed
US-20190233417-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2019-08-01 US disclosed
US-10253023-B2 Heteroaryl compounds as BTK inhibitors and uses thereof MERCK PATENT GMBH (DE) 2019-04-09 US disclosed
CN-101821257-A 5-HT 7Receptor antagonist LILLY CO ELI 2010-09-01 CN disclosed
US-20100197700-A1 5-HT7 RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY 2010-08-05 US disclosed
US-20100197700-A1 5-HT7 RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY 2010-08-05 US disclosed
US-20100197700-A1 5-HT7 RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY 2010-08-05 US disclosed
EP-2201002-A1 5-HT7 RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2010-06-30 EP disclosed
US-20100120785-A1 2-[4-(PYRAZOL-4-YLALKYL)PIPERAZIN-1-YL]-3-PHENYL PYRAZINES AND PYRIDINES AND 3-[4-(PYRAZOL-4-YLALKYL)PIPERAZIN-1-YL]-2-PHENYL PYRIDINES AS 5-HT7 RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2010-05-13 US disclosed
EP-2155717-A1 2-[4-(PYRAZOL-4-YLALKYL)PIPERAZIN-1-YL]-3-PHENYL PYRAZINES AND PYRIDINES AND 3-[4-(PYRAZOL-4-YLALKYL)PIPERAZIN-1-YL]-2-PHENYL PYRIDINES AS 5-HT7 RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2010-02-24 EP disclosed
WO-2009048765-A1 5-HT7 RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2009-04-16 WO disclosed
WO-2009048765-A1 5-HT7 RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2009-04-16 WO disclosed
WO-2008141020-A1 2-[4-(PYRAZOL-4-YLALKYL)PIPERAZIN-1-YL]-3-PHENYL PYRAZINES AND PYRIDINES AND 3-[4-(PYRAZOL-4-YLALKYL)PIPERAZIN-1-YL]-2-PHENYL PYRIDINES AS 5-HT7 RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2008-11-20 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 (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-10253023-B2 Heteroaryl compounds as BTK inhibitors and uses thereof BTK, SYK, LYN KIT 1188/4885L3MBTL1 1862/4885MET 2334/4885
US-20190233417-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF BTK, SYK, LYN KIT 1083/4885L3MBTL1 1551/4885MET 2708/4885
US-20100197700-A1 5-HT7 RECEPTOR ANTAGONISTS HTR7, HTR1A, HTR2C KIT 120/4885L3MBTL1 4552/4885MET 561/4885
US-20100120785-A1 2-[4-(PYRAZOL-4-YLALKYL)PIPERAZIN-1-YL]-3-PHENYL PYRAZINES AND PYRIDINES AND 3-[4-(PYRAZOL-4-YLALKYL)PIPERAZIN-1-YL]-2-PHENYL PYRIDINES AS 5-HT7 RECEPTOR ANTAGONISTS HTR7, HTR2C, HTR4 KIT 184/4885L3MBTL1 4103/4885MET 1116/4885

“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.