SCHEMBL9611700

SCHEMBL9611700

Cc1cncn2ccnc12

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.47
SRC P12931 1/20 0.44
NUDT1 P36639 1/20 0.39
KDM4E B2RXH2 1/20 0.35
HTT P42858 1/20 0.35
TNKS O95271 1/20 0.32
CYP2E1 P05181 2/20 0.32
CYP2A6 P11509 2/20 0.32
CYP3A4 P08684 1/20 0.32
SMPD3 Q9NY59 1/20 0.31
DYRK1A Q13627 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
SCHEMBL21718781 0.76 NUDT1 (0.36) L3MBTL1SRCNUDT1KDM4EHTT
SCHEMBL2658965 0.75 NUDT1 (0.39) L3MBTL1SRCNUDT1DYRK1A
SCHEMBL30833161 0.75 NUDT1 (0.39) L3MBTL1SRCNUDT1DYRK1A
SCHEMBL13229296 0.75 AXL (0.46) L3MBTL1SRCNUDT1DYRK1A
SCHEMBL24521477 0.75 NUDT1 (0.39) L3MBTL1SRCNUDT1DYRK1A
SCHEMBL23114458 0.75 NUDT1 (0.35) L3MBTL1SRCNUDT1HTT
SCHEMBL15158580 0.75 NUDT1 (0.35) L3MBTL1SRCNUDT1
SCHEMBL30835289 0.73 NUDT1 (0.38) L3MBTL1SRCNUDT1DYRK1A
SCHEMBL14635679 0.71 SRC (0.51) L3MBTL1SRCNUDT1CYP2E1CYP2A6
SCHEMBL23691866 0.71 SRC (0.33) L3MBTL1SRCNUDT1

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-3555070-B1 AMINE-SUBSTITUTED HETEROCYCLIC COMPOUNDS AS EHMT2 INHIBITORS AND METHODS OF USE THEREOF EPIZYME INC (US) 2023-08-09 EP disclosed
EP-3596072-B1 PYRAZOLOCHLOROPHENYL COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF HOFFMANN LA ROCHE (CH) 2022-06-22 EP disclosed
EP-3399968-B1 SELECTIVE INHIBITORS OF CLINICALLY IMPORTANT MUTANTS OF THE EGFR TYROSINE KINASE CS PHARMATECH LTD (KY) 2021-10-20 EP disclosed
US-20210087190-A1 SUBSTITUTED ISOINDOLIN-1-ONES AND 2,3-DIHYDRO-1H-PYRROLO[3,4-c]PYRIDIN-1-ONES AS HPK1 ANTAGONISTS CHARLES RIVER DISCOVERY RESEARCH SERVICES UK LIMITED (GB) 2021-03-25 US disclosed
US-20210087189-A1 SUBSTITUTED ISINDOLIN-1-ONES AND 2,3-DIHYDRO-1H-PYRROLO[3,3-c]PYRIDIN-1-ONES AS HPK1 ANTAGONISTS CHARLES RIVER DISCOVERY RESEARCH SERVICES UK LIMITED (GB) 2021-03-25 US disclosed
US-9550786-B2 4-fluoropiperidine orexin receptor antagonists MERCK SHARP & DOHME CORP. (US) 2017-01-24 US disclosed
US-20150322074-A1 4-FLUOROPIPERIDINE OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2015-11-12 US disclosed
US-9126943-B2 Nitrogenated heterocyclic ring derivative and organic electroluminescent element comprising same IDEMITSU KOSAN CO., LTD. (JP) 2015-09-08 US disclosed
US-9126943-B2 Nitrogenated heterocyclic ring derivative and organic electroluminescent element comprising same IDEMITSU KOSAN CO., LTD. (JP) 2015-09-08 US disclosed
US-8975235-B2 Lysophosphatidic acid receptor antagonists INTERMUNE, INC. (US) 2015-03-10 US disclosed
US-8501747-B2 Functionally selective alpha2C adrenoreceptor agonists MERCK SHARP & DOHME CORP. (US) 2013-08-06 US disclosed
US-20130072449-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS INTERMUNE, INC. (US) 2013-03-21 US disclosed
US-20120132899-A1 NITROGENATED HETEROCYCLIC RING DERIVATIVE AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME IDEMITSU KOSAN CO., LTD. (JP) 2012-05-31 US disclosed
US-20120132899-A1 NITROGENATED HETEROCYCLIC RING DERIVATIVE AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME IDEMITSU KOSAN CO., LTD. (JP) 2012-05-31 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 (5 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-20130072449-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS LPAR1, LPAR2, LPAR5 L3MBTL1 2087/4885SRC 2811/4885NUDT1 1603/4885
US-20120132899-A1 NITROGENATED HETEROCYCLIC RING DERIVATIVE AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME H1-2, L1CAM, H1-0 L3MBTL1 758/4885SRC 3223/4885NUDT1 1543/4885
US-20150322074-A1 4-FLUOROPIPERIDINE OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPY4R L3MBTL1 4401/4885SRC 4154/4885NUDT1 2387/4885
US-20210087190-A1 SUBSTITUTED ISOINDOLIN-1-ONES AND 2,3-DIHYDRO-1H-PYRROLO[3,4-c]PYRIDIN-1-ONES AS HPK1 ANTAGONISTS HIPK1, PDXK, IP6K1 L3MBTL1 2183/4885SRC 2845/4885NUDT1 1714/4885
US-20210087189-A1 SUBSTITUTED ISINDOLIN-1-ONES AND 2,3-DIHYDRO-1H-PYRROLO[3,3-c]PYRIDIN-1-ONES AS HPK1 ANTAGONISTS HIPK1, PDXK, SIK1 L3MBTL1 3073/4885SRC 3194/4885NUDT1 1413/4885

“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.