SCHEMBL19971719

SCHEMBL19971719

Cc1ccc(CNC(=O)OC(C)(C)C)nc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.44
CA12 O43570 3/20 0.43
CA1 P00915 3/20 0.43
CA2 P00918 3/20 0.43
CA9 Q16790 3/20 0.43
KDM4A O75164 1/20 0.42
NAMPT P43490 1/20 0.42
ADORA2A P29274 1/20 0.41
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 2/20 0.40
MAPKAPK2 P49137 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
PDPK1 O15530 1/20 0.39
STK17B O94768 1/20 0.39
STK17A Q9UEE5 1/20 0.39
CACNA1H O95180 1/20 0.39
CACNA1B Q00975 1/20 0.39
CACNA1C Q13936 1/20 0.39
CYP3A4 P08684 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
SCHEMBL10178111 0.86 TDP1 (0.48) CA12CA1CA2CA9ADORA2A
SCHEMBL30069413 0.86 MAOA (0.47) CA12CA1CA2CA9KDM4E
SCHEMBL21744310 0.86 MAOA (0.47) CA12CA1CA2CA9KDM4E
SCHEMBL24307053 0.85 L3MBTL1 (0.44) L3MBTL1CA12CA1CA2CA9
SCHEMBL22828360 0.84 TRPA1 (0.50) L3MBTL1CA12CA1CA2CA9
SCHEMBL13707719 0.84 L3MBTL1 (0.43) L3MBTL1CA12CA1CA2CA9
SCHEMBL29632040 0.84 CA12 (0.45) L3MBTL1CA12CA1CA2CA9
SCHEMBL21682662 0.84 CA12 (0.45) L3MBTL1CA12CA1CA2CA9
SCHEMBL17680512 0.84 L3MBTL1 (0.43) L3MBTL1CA12CA1CA2CA9
SCHEMBL16282482 0.84 GRM2 (0.45) L3MBTL1CA12CA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200339567-A1 SUBSTITUTED IMIDAZOPYRIDINE AMIDES AND USE THEREOF BAYER AKTIENGESELLSCHAFT (DE) 2020-10-29 US disclosed
WO-2020216669-A1 PHENYL-SUBSTITUTED IMIDAZOPYRIDINE AMIDES AND USE THEREOF BAYER AKTIENGESELLSCHAFT (DE) 2020-10-29 WO disclosed
US-20200290992-A1 Deuterium-Substituted Pyridin- And Pyrimidin-2-yl-Methylamine Compounds AUSPEX PHARMACEUTICALS, INC. 2020-09-17 US disclosed
US-20200290992-A1 Deuterium-Substituted Pyridin- And Pyrimidin-2-yl-Methylamine Compounds AUSPEX PHARMACEUTICALS, INC. 2020-09-17 US disclosed
EP-3700903-A1 SUBSTITUTED IMIDAZOPYRIDINE AMIDES AND USE THEREOF Bayer Aktiengesellschaft (DE) 2020-09-02 EP disclosed
US-10626105-B2 Deuterium-substituted pyridin- and pyrimidin-2-yl-methylamine compounds AUSPEX PHARMACEUTICALS, INC. (US) 2020-04-21 US disclosed
US-10626105-B2 Deuterium-substituted pyridin- and pyrimidin-2-yl-methylamine compounds AUSPEX PHARMACEUTICALS, INC. (US) 2020-04-21 US disclosed
WO-2018057576-A1 DEUTERIUM-SUBSTITUTED PYRIDIN- AND PYRIMIDIN-2-YL-METHYLAMINE COMPOUNDS AUSPEX PHARMACEUTICALS, INC. (US) 2018-03-29 WO disclosed
US-20180079742-A1 Deuterium-Substituted Pyridin- And Pyrimidin-2-yl-Methylamine Compounds AUSPEX PHARMACEUTICALS, INC. 2018-03-22 US disclosed
US-20180079742-A1 Deuterium-Substituted Pyridin- And Pyrimidin-2-yl-Methylamine Compounds AUSPEX PHARMACEUTICALS, INC. 2018-03-22 US disclosed
US-20180079742-A1 Deuterium-Substituted Pyridin- And Pyrimidin-2-yl-Methylamine Compounds AUSPEX PHARMACEUTICALS, INC. 2018-03-22 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 (4 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-20200290992-A1 Deuterium-Substituted Pyridin- And Pyrimidin-2-yl-Methylamine Compounds HTR2C, HTR5A, HTR1A L3MBTL1 4729/4885CA12 4879/4885CA1 4865/4885
US-20180079742-A1 Deuterium-Substituted Pyridin- And Pyrimidin-2-yl-Methylamine Compounds HTR2C, HTR5A, HTR1A L3MBTL1 4729/4885CA12 4879/4885CA1 4865/4885
US-10626105-B2 Deuterium-substituted pyridin- and pyrimidin-2-yl-methylamine compounds HTR2C, HTR5A, HTR1A L3MBTL1 4729/4885CA12 4879/4885CA1 4865/4885
US-20200339567-A1 SUBSTITUTED IMIDAZOPYRIDINE AMIDES AND USE THEREOF GOT2, ABAT, OAT L3MBTL1 4278/4885CA12 4084/4885CA1 2579/4885

“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.