SCHEMBL448316

SCHEMBL448316

NC1(c2cc(F)ccc2OCc2ccccc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.44
KDM1A O60341 7/20 0.44
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
LMNA P02545 2/20 0.41
LTA4H P09960 1/20 0.41
MAPK14 Q16539 1/20 0.41
MRGPRX4 Q96LA9 1/20 0.40
ALPG P10696 1/20 0.40
PTK2B Q14289 1/20 0.40
LRRK2 Q5S007 1/20 0.40
HTR1A P08908 2/20 0.40
DRD2 P14416 1/20 0.40
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39

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
Trifluoroacetic Acid SCHEMBL23327254 0.89 MRGPRX4 (0.45) L3MBTL1MAPTLMNAMRGPRX4LRRK2
SCHEMBL435851 0.85 MAPT (0.49) L3MBTL1KDM1AMAPTMAPK1TDP1
SCHEMBL31658801 0.84 NPC1 (0.45)
SCHEMBL27167092 0.80 LMNA (0.44) L3MBTL1KDM1AMAPTLMNAMRGPRX4
SCHEMBL27167035 0.80 ALPG (0.45) L3MBTL1MAPTLMNAMRGPRX4ALPG
SCHEMBL30434028 0.80 L3MBTL1 (0.45) L3MBTL1KDM1AMAPTMAPK1TDP1
SCHEMBL21408282 0.80 L3MBTL1 (0.45) L3MBTL1KDM1AMAPTMAPK1TDP1
SCHEMBL31482934 0.80 L3MBTL1 (0.42) L3MBTL1KDM1AMAPTMAPK1TDP1
SCHEMBL23327663 0.79 MRGPRX4 (0.44) L3MBTL1MAPTLMNAMRGPRX4ALPG
SCHEMBL451750 0.79 MAPT (0.46) L3MBTL1KDM1AMAPTMAPK1TDP1

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
CN-111971287-B Macrocyclic compounds as TRK kinase inhibitors 重庆复尚源创医药技术有限公司 2023-06-02 CN disclosed
US-11555042-B2 Macrocyclic compounds as TRK kinases inhibitors FOCHON BIOSCIENCES, LTD. (CN) 2023-01-17 US disclosed
US-20210139506-A1 MACROCYCLIC COMPOUNDS AS TRK KINASES INHIBITORS FOCHON PHARMACEUTICALS, LTD. (CN) 2021-05-13 US disclosed
US-20210139506-A1 MACROCYCLIC COMPOUNDS AS TRK KINASES INHIBITORS FOCHON PHARMACEUTICALS, LTD. (CN) 2021-05-13 US disclosed
CN-111971287-A Macrocyclic compounds as TRK kinase inhibitors 重庆复创医药研究有限公司 2020-11-20 CN disclosed
WO-2019184955-A1 MACROCYCLIC COMPOUNDS AS TRK KINASES INHIBITORS FOCHON PHARMACEUTICALS, LTD. (CN) 2019-10-03 WO disclosed
US-20150073136-A1 PYRAZINONE DERIVATIVES ASTRAZENECA AB (SE) 2015-03-12 US disclosed
US-8889692-B2 Pyrazinone derivatives, pharmaceutically acceptance salts thereof and their uses ASTRAZENECA AB (SE) 2014-11-18 US disclosed
EP-2170848-B1 PYRAZINONE DERIVATIVES AND THEIR USE IN THE TREATMENT OF LUNG DISEASES ASTRAZENECA AB (SE) 2014-10-22 EP disclosed
US-20130012523-A1 PYRAZINONE DERIVATIVES, PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AND THEIR USES BROUGH STEPHEN (GB) 2013-01-10 US disclosed
US-8299246-B2 N-cyclopropyl-3-fluoro-5-[3-[[1-[2-[2- [(2-hydroxethyl)amino] ethoxy]phenyl] cyclopropyl] amino]-2-oxo-1 (2H)-pyrazinyl]-4-methyl-benzamide, or pharmaceutically acceptable salts thereof and their uses ASTRAZENECA AB (SE) 2012-10-30 US disclosed
US-20120214822-A1 N-CYCLOPROPYL-3-FLUORO-5-[3-[[1-[2-[2- [(2-HYDROXETHYL)AMINO] ETHOXY]PHENYL] CYCLOPROPYL] AMINO]-2-OXO- 1 (2H)-PYRAZINYL]-4-METHYL-BENZAMIDE, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AND THEIR USES ASTRAZENECA AB (SE) 2012-08-23 US disclosed
US-8163905-B2 Compounds and their uses 708 ASTRAZENECA AB (SE) 2012-04-24 US disclosed
US-20120065214-A1 COMPOUNDS AND THEIR USES 708 ASTRAZENECA AB (SE) 2012-03-15 US disclosed
EP-2170848-A1 PYRAZINONE DERIVATIVES AND THEIR USE IN THE TREATMENT OF LUNG DISEASES AstraZeneca AB (SE) 2010-04-07 EP disclosed
WO-2009001132-A1 PYRAZINONE DERIVATIVES AND THEIR USE IN THE TREATMENT OF LUNG DISEASES ASTRAZENECA AB (SE) 2008-12-31 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-20210139506-A1 MACROCYCLIC COMPOUNDS AS TRK KINASES INHIBITORS PLK2, ERBB3, DMPK L3MBTL1 2668/4885KDM1A 2864/4885MAPT 1273/4885
US-20120065214-A1 COMPOUNDS AND THEIR USES 708 CYP3A7, CYP2C8, CYP2C18 L3MBTL1 4827/4885KDM1A 2265/4885MAPT 2316/4885
US-20120214822-A1 N-CYCLOPROPYL-3-FLUORO-5-[3-[[1-[2-[2- [(2-HYDROXETHYL)AMINO] ETHOXY]PHENYL] CYCLOPROPYL] AMINO]-2-OXO- 1 (2H)-PYRAZINYL]-4-METHYL-BENZAMIDE, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AND THEIR USES H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, H1-0, CYP3A5 L3MBTL1 3952/4885KDM1A 259/4885MAPT 3682/4885
US-11555042-B2 Macrocyclic compounds as TRK kinases inhibitors PLK2, ERBB3, DMPK L3MBTL1 2668/4885KDM1A 2864/4885MAPT 1273/4885
US-20150073136-A1 PYRAZINONE DERIVATIVES CYP3A7, CYP3A4, CYP2D6 L3MBTL1 4427/4885KDM1A 2415/4885MAPT 2955/4885
US-20130012523-A1 PYRAZINONE DERIVATIVES, PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AND THEIR USES CYP3A7, CYP3A5, CYP2C19 L3MBTL1 4142/4885KDM1A 2940/4885MAPT 3088/4885

“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.