SCHEMBL646099

SCHEMBL646099

COC(=O)c1cc(-c2ccccc2)n[nH]1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 1.00
MAPT P10636 6/20 0.75
ALPL P05186 5/20 0.75
RAB9A P51151 3/20 0.75
POLB P06746 1/20 0.75
SMN1; SMN2 Q16637 2/20 0.73
NPC1 O15118 2/20 0.73
LMNA P02545 1/20 0.73
CHEK1 O14757 1/20 0.69
RET P07949 1/20 0.69
PDGFRB P09619 1/20 0.69
PIM1 P11309 1/20 0.69
PDGFRA P16234 1/20 0.69
GSK3B P49841 1/20 0.69
RPS6KA3 P51812 1/20 0.69
LIMK1 P53667 1/20 0.69
CDK5 Q00535 1/20 0.69
TYRO3 Q06418 1/20 0.69
MAPK14 Q16539 1/20 0.69
LRRK2 Q5S007 1/20 0.69

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
Hydrochloric Acid SCHEMBL1314014 0.98 GAA (0.97) GAAMAPTALPLRAB9APOLB
SCHEMBL2839015 0.87 GAA (0.77) GAAMAPTALPLRAB9APOLB
SCHEMBL4788746 0.86 GAA (0.75) GAAMAPTALPLRAB9APOLB
SCHEMBL1414008 0.84 MAPT (1.00) GAAMAPTALPLRAB9APOLB
SCHEMBL2524441 0.84 ALPL (0.76) GAAMAPTALPLRAB9APOLB
SCHEMBL2631731 0.84 MAPT (1.00) GAAMAPTALPLRAB9APOLB
SCHEMBL855912 0.84 ALPL (0.76) GAAMAPTALPLRAB9APOLB
SCHEMBL644698 0.84 GAA (0.72) GAAMAPTALPLRAB9APOLB
SCHEMBL13539290 0.84 ALPL (1.00) GAAMAPTALPLRAB9APOLB
SCHEMBL644902 0.84 MAPT (0.72) GAAMAPTALPLRAB9APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2164329-A2 TISSUE NON-SPECIFIC ALKALINE PHOSPHATASE INHIBITORS AND USES THEREOF FOR TREATING VASCULAR CALCIFICATION The Burnham Institute for Medical Research (US) 2010-03-24 EP claimed
US-20090156560-A1 TISSUE NON-SPECIFIC ALKALINE PHOSPHATASE INHIBITORS AND USES THEREOF FOR TREATING VASCULAR CALCIFICATION SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE 2009-06-18 US claimed
WO-2009017863-A2 TISSUE NON-SPECIFIC ALKALINE PHOSPHATASE INHIBITORS AND USES THEREOF FOR TREATING VASCULAR CALCIFICATION BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2009-02-05 WO claimed
US-20230119740-A1 THERAPEUTIC COMPOUNDS AND METHODS GENENTECH, INC. (US) 2023-04-20 US disclosed
WO-2023287793-A1 THERAPEUTIC COMPOUNDS AND METHODS GENENTECH, INC. (US) 2023-01-19 WO disclosed
US-20220105091-A1 FUSED TRICYCLIC PYRAZOLO-DIHYDROPYRAZINYL-PYRIDONE COMPOUNDS AS ANTIVIRALS NOVARTIS AG (CH) 2022-04-07 US disclosed
US-11234977-B2 Fused tricyclic pyrazolo-dihydropyrazinyl-pyridone compounds as antivirals NOVARTIS AG (CH) 2022-02-01 US disclosed
US-11234977-B2 Fused tricyclic pyrazolo-dihydropyrazinyl-pyridone compounds as antivirals NOVARTIS AG (CH) 2022-02-01 US disclosed
CN-108834415-B Substituted tricyclic 1, 4-benzodiazepine derivatives as allosteric modulators of group II metabotropic glutamate receptors 多曼治疗学公司 2021-12-24 CN disclosed
US-20210346377-A1 Fused Tricyclic Pyrazolo-Dihydropyrazinyl-Pyridone Compounds as Antivirals NOVARTIS AG (CH) 2021-11-11 US disclosed
US-20210346377-A1 Fused Tricyclic Pyrazolo-Dihydropyrazinyl-Pyridone Compounds as Antivirals NOVARTIS AG (CH) 2021-11-11 US disclosed
WO-2009017863-A2 TISSUE NON-SPECIFIC ALKALINE PHOSPHATASE INHIBITORS AND USES THEREOF FOR TREATING VASCULAR CALCIFICATION BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2009-02-05 WO disclosed
US-20070293507-A1 Pyrazole Kinase Modulators And Methods Of Use EXELIXIS, INC. (US) 2007-12-20 US disclosed
US-20070293507-A1 Pyrazole Kinase Modulators And Methods Of Use EXELIXIS, INC. (US) 2007-12-20 US disclosed
US-20070293507-A1 Pyrazole Kinase Modulators And Methods Of Use EXELIXIS, INC. (US) 2007-12-20 US disclosed
EP-1797072-A2 PYRAZOLE KINASE MODULATORS AND METHODS OF USE Exelixis, Inc. (US) 2007-06-20 EP disclosed
WO-2006033943-A2 PYRAZOLE KINASE MODULATORS AND METHODS OF USE EXELIXIS, INC (US) 2006-03-30 WO disclosed
EP-0784612-A1 UREA DERIVATIVES AND THEIR USE AS ACAT-INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-07-23 EP disclosed
WO-1997001551-A1 PYRAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-01-16 WO disclosed
WO-1996010559-A1 UREA DERIVATIVES AND THEIR USE AS ACAT-INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-04-11 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 (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-20210346377-A1 Fused Tricyclic Pyrazolo-Dihydropyrazinyl-Pyridone Compounds as Antivirals ZC3HAV1, CYP3A5, HAVCR2 GAA 1688/4885MAPT 2337/4885ALPL 1261/4885
US-20230119740-A1 THERAPEUTIC COMPOUNDS AND METHODS PCK1, SLC5A1, PFKFB1 GAA 818/4885MAPT 3652/4885ALPL 1024/4885
US-20220105091-A1 FUSED TRICYCLIC PYRAZOLO-DIHYDROPYRAZINYL-PYRIDONE COMPOUNDS AS ANTIVIRALS ZC3HAV1, CYP3A5, HAVCR2 GAA 1688/4885MAPT 2337/4885ALPL 1261/4885
US-20090156560-A1 TISSUE NON-SPECIFIC ALKALINE PHOSPHATASE INHIBITORS AND USES THEREOF FOR TREATING VASCULAR CALCIFICATION ALPL, CNDP2, ALPI GAA 40/4885MAPT 3950/4885ALPL 1/4885
US-11234977-B2 Fused tricyclic pyrazolo-dihydropyrazinyl-pyridone compounds as antivirals ZC3HAV1, CYP3A5, HAVCR2 GAA 1688/4885MAPT 2337/4885ALPL 1261/4885
US-20070293507-A1 Pyrazole Kinase Modulators And Methods Of Use MAP3K1, MAP3K3, MAP3K5 GAA 2413/4885MAPT 3472/4885ALPL 3987/4885

“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.