SCHEMBL12181571

SCHEMBL12181571

CCCn1cc(CC)cn1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.52
DRD4 P21917 1/20 0.38
PIK3CD O00329 1/20 0.37
PIP5K1C O60331 1/20 0.37
PIK3CA P42336 1/20 0.37
PIK3CB P42338 1/20 0.37
PI4KA P42356 1/20 0.37
PIK3CG P48736 1/20 0.37
PI4KB Q9UBF8 1/20 0.37
NAMPT P43490 5/20 0.35
PRMT5 O14744 1/20 0.34
WDR77 Q9BQA1 1/20 0.34
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
KDM5B Q9UGL1 1/20 0.33
MAPK1 P28482 1/20 0.33
KCNH2 Q12809 2/20 0.33
JAK2 O60674 1/20 0.31
JAK1 P23458 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
SCHEMBL26643486 0.88 L3MBTL1 (0.41) L3MBTL1DRD4ALDH1A1KCNH2ADORA2A
SCHEMBL12311437 0.85 L3MBTL1 (0.55) L3MBTL1DRD4PIK3CDPIP5K1CPIK3CA
SCHEMBL18083219 0.85 L3MBTL1 (0.50) L3MBTL1DRD4PIK3CDPIP5K1CPIK3CA
SCHEMBL16020312 0.83 KCNH2 (0.37) L3MBTL1PIK3CDPIP5K1CPIK3CAPIK3CB
SCHEMBL19889721 0.83 L3MBTL1 (0.37) L3MBTL1DRD4PRMT5WDR77ALDH1A1
SCHEMBL253267 0.83 L3MBTL1 (0.41) L3MBTL1NAMPTPRMT5WDR77ALDH1A1
SCHEMBL2701043 0.83 L3MBTL1 (0.49) L3MBTL1DRD4PIK3CDPIP5K1CPIK3CA
SCHEMBL4752963 0.83 L3MBTL1 (0.49) L3MBTL1DRD4PIK3CDPIP5K1CPIK3CA
SCHEMBL7992278 0.83 L3MBTL1 (0.49) L3MBTL1DRD4PIK3CDPIP5K1CPIK3CA
SCHEMBL2756556 0.82

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3784669-B1 PTERIDINONE COMPOUNDS AND USES THEREOF VERTEX PHARMA (US) 2023-10-25 EP disclosed
US-20230312587-A1 PTERIDINONE COMPOUNDS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED 2023-10-05 US disclosed
US-20230233560-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-07-27 US disclosed
US-20210069188-A1 PYRAZOLO[3,4-B]PYRAZINE SHP2 PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF D. E. SHAW RESEARCH, LLC 2021-03-11 US disclosed
US-20210052584-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2021-02-25 US disclosed
EP-2900660-B1 HERBICIDAL AND FUNGICIDAL 3-HETEROARYLISOXAZOLIN-5-CARBOXAMIDES AND 3-HETEROARYLISOXAZOLIN-5-THIOAMIDES BAYER CROPSCIENCE AG (DE) 2018-01-17 EP disclosed
WO-2017120194-A1 PYRIDINE AND PYRIDIMINE COMPOUNDS AS PI3K-GAMMA INHIBITORS INCYTE CORPORATION (US) 2017-07-13 WO disclosed
EP-2900644-B1 HERBICIDAL AND FUNGICIDAL 5-OXY-SUBSTITUTED 3-PHENYLISOXAZOLIN-5-CARBOXAMIDES AND 5-OXY-SUBSTITUTED 3-PHENYLISOXAZOLIN-5-THIOAMIDES BAYER CROPSCIENCE AG (DE) 2016-09-21 EP disclosed
WO-2016081692-A2 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2016-05-26 WO disclosed
US-9346807-B2 Inhibitors of PI3K-delta and methods of their use and manufacture EXELIXIS, INC. (US) 2016-05-24 US disclosed
WO-2014186313-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2014-11-20 WO disclosed
US-20140058103-A1 Inhibitors of PI3K-Delta and Methods of Their Use and Manufacture EXELIXIS, INC. (US) 2014-02-27 US disclosed
WO-2012123312-A1 PYRIDO[3,4-B]PYRAZINE DERIVATIVES AS SYK INHIBITORS GLAXO GROUP LIMITED (GB) 2012-09-20 WO disclosed
WO-2011145035-A1 NOVEL 3,5-DISUBSTITUED-3H-IMIDAZO[4,5-B]PYRIDINE AND 3,5- DISUBSTITUED -3H-[1,2,3]TRIAZOLO[4,5-B] PYRIDINE COMPOUNDS AS MODULATORS OF PROTEIN KINASES INDIAN INCOZEN THERAPEUTICS PVT. LTD. (IN) 2011-11-24 WO disclosed
US-7550478-B2 Tyrosine kinase inhibitors MERCK & CO. INC. (US) 2009-06-23 US disclosed
US-20090143361-A1 Pyrido[3,2-E]Pyrazines, Process For Preparing The Same, And Their Use As Inhibitors Of Phosphodiesterase 10 ELBION GMBH (DE) 2009-06-04 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 (6 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-20090143361-A1 Pyrido[3,2-E]Pyrazines, Process For Preparing The Same, And Their Use As Inhibitors Of Phosphodiesterase 10 PDE12, PDE5A, PDE3A L3MBTL1 4803/4885DRD4 2601/4885PIK3CD 189/4885
US-20140058103-A1 Inhibitors of PI3K-Delta and Methods of Their Use and Manufacture PIK3CD, PIK3CA, PIK3R5 L3MBTL1 4451/4885DRD4 4257/4885PIK3CD 1/4885
US-20210052584-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1B, SLC26A4 L3MBTL1 3997/4885DRD4 3686/4885PIK3CD 1765/4885
US-20230233560-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1B, SLC26A4 L3MBTL1 3997/4885DRD4 3686/4885PIK3CD 1765/4885
US-20210069188-A1 PYRAZOLO[3,4-B]PYRAZINE SHP2 PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF PTPN2, PTPN5, PTPRJ L3MBTL1 3115/4885DRD4 4856/4885PIK3CD 175/4885
US-20230312587-A1 PTERIDINONE COMPOUNDS AND USES THEREOF DPYD, PKD1, TYMP L3MBTL1 4437/4885DRD4 4100/4885PIK3CD 1645/4885

“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.