SCHEMBL18501252

SCHEMBL18501252

COc1ncc(F)cc1C(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 2/20 0.35
FEN1 P39748 2/20 0.35
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
SQOR Q9Y6N5 2/20 0.34
AURKA O14965 2/20 0.33
AURKB Q96GD4 2/20 0.33
GPBAR1 Q8TDU6 1/20 0.33
KDR P35968 1/20 0.33
PIK3CA P42336 2/20 0.33
CYP3A4 P08684 2/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
HPGD P15428 1/20 0.32
ALOX15 P16050 1/20 0.32
MAPT P10636 1/20 0.32
CASP1 P29466 1/20 0.32
DHFR P00374 1/20 0.31
CYP2C9 P11712 2/20 0.31
POLQ O75417 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
SCHEMBL31444848 0.80 PIK3CA (0.37) SQORGPBAR1PIK3CAPOLQSSTR4
SCHEMBL24922437 0.78 CA1 (0.48) CA1CA2SQORAURKAAURKB
SCHEMBL25449418 0.78 CA2 (0.39) CA1CA2SQORAURKAAURKB
SCHEMBL9885336 0.78 CYP1A2 (0.42) AURKAAURKBKDRPIK3CACYP3A4
SCHEMBL12401753 0.77 LMNA (0.43) CA1CA2SQORAURKAAURKB
SCHEMBL12093598 0.75 PIK3CA (0.44) AURKAAURKBPIK3CACYP3A4MAPT
SCHEMBL15472079 0.75 PIK3CA (0.41) AURKAAURKBKDRPIK3CACYP3A4
SCHEMBL21139100 0.75 KDM4E (0.32) ALOX5APFEN1CA1CA2ALOX15
SCHEMBL12093713 0.74 AGBL2 (0.42) AURKAAURKBGPBAR1KDRPIK3CA
SCHEMBL22428717 0.74 KDM4E (0.31) ALOX5APFEN1ALOX15MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230242531-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2023-08-03 US disclosed
US-20230242531-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2023-08-03 US disclosed
US-20230150972-A1 PYRIDINYL DERIVATIVES AS SODIUM CHANNEL ACTIVATORS XENON PHARMACEUTICALS INC. (CA) 2023-05-18 US disclosed
US-20230150972-A1 PYRIDINYL DERIVATIVES AS SODIUM CHANNEL ACTIVATORS XENON PHARMACEUTICALS INC. (CA) 2023-05-18 US disclosed
US-20230145305-A1 COMPOUNDS USEFUL AS KINASE INHIBITORS FOCHON BIOSCIENCES, LTD. (CN) 2023-05-11 US disclosed
US-20200102311-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2020-04-02 US disclosed
US-9708334-B2 Substituted 2,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole and 4,5,6,7-tetrahydro-2H-pyrazolo[4,3-c]pyridine compounds as GlyT1 inhibitors DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2017-07-18 US disclosed
US-9708334-B2 Substituted 2,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole and 4,5,6,7-tetrahydro-2H-pyrazolo[4,3-c]pyridine compounds as GlyT1 inhibitors DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2017-07-18 US disclosed
US-20170044167-A1 SUBSTITUTED 2,4,5,6-TETRAHYDROPYRROLO[3,4-C]PYRAZOLE AND 4,5,6,7-TETRAHYDRO-2H-PYRAZOLO[4,3-C]PYRIDINE COMPOUNDS AS GLYT1 INHIBITORS DART NEUROSCIENCE LLC 2017-02-16 US disclosed
US-20170044167-A1 SUBSTITUTED 2,4,5,6-TETRAHYDROPYRROLO[3,4-C]PYRAZOLE AND 4,5,6,7-TETRAHYDRO-2H-PYRAZOLO[4,3-C]PYRIDINE COMPOUNDS AS GLYT1 INHIBITORS DART NEUROSCIENCE LLC 2017-02-16 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-20230145305-A1 COMPOUNDS USEFUL AS KINASE INHIBITORS BTK, ABL1, LCK ALOX5AP 3747/4885FEN1 1781/4885CA1 4800/4885
US-20230242531-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP ALOX5AP 380/4885FEN1 4557/4885CA1 4510/4885
US-20200102311-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP ALOX5AP 380/4885FEN1 4557/4885CA1 4510/4885
US-20170044167-A1 SUBSTITUTED 2,4,5,6-TETRAHYDROPYRROLO[3,4-C]PYRAZOLE AND 4,5,6,7-TETRAHYDRO-2H-PYRAZOLO[4,3-C]PYRIDINE COMPOUNDS AS GLYT1 INHIBITORS GLRA1, GRIA3, GRIA4 ALOX5AP 4170/4885FEN1 3851/4885CA1 1244/4885
US-20230150972-A1 PYRIDINYL DERIVATIVES AS SODIUM CHANNEL ACTIVATORS SCN1B, SCN1A, SCN2B ALOX5AP 2909/4885FEN1 4702/4885CA1 1478/4885

“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.