SCHEMBL614879

SCHEMBL614879

Nc1ccc(N)c(-c2ccccc2)c1N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
HSD17B10 Q99714 4/20 0.44
MAOA P21397 3/20 0.43
MAOB P27338 1/20 0.43
LMNA P02545 3/20 0.42
HTT P42858 3/20 0.42
MAPT P10636 3/20 0.42
CYP3A4 P08684 2/20 0.42
TAAR1 Q96RJ0 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
FGR P09769 1/20 0.41
PIM1 P11309 1/20 0.41
ADORA2A P29274 1/20 0.41
CSNK1A1 P48729 1/20 0.41
CSNK1D P48730 1/20 0.41
DYRK1A Q13627 1/20 0.41
HIPK2 Q9H2X6 1/20 0.41
CSNK1G1 Q9HCP0 1/20 0.41
ALOX15 P16050 3/20 0.39
MAPK1 P28482 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
SCHEMBL29799881 1.00 ALDH1A1 (0.44) ALDH1A1HSD17B10MAOAMAOBLMNA
SCHEMBL25014 0.86 HSD17B10 (0.50) ALDH1A1HSD17B10MAOALMNAHTT
SCHEMBL29546125 0.86 HSD17B10 (0.50) ALDH1A1HSD17B10MAOALMNAHTT
SCHEMBL5703623 0.85 MAOA (0.50) ALDH1A1HSD17B10MAOAMAOBLMNA
Water SCHEMBL27969596 0.83 HSD17B10 (0.48) ALDH1A1HSD17B10MAOALMNAHTT
SCHEMBL904407 0.83 ALDH1A1 (0.50) ALDH1A1HSD17B10MAOAMAOBLMNA
SCHEMBL153531 0.83 HSD17B10 (0.50) ALDH1A1HSD17B10MAOAMAOBLMNA
SCHEMBL31168188 0.83 HSD17B10 (0.50) ALDH1A1HSD17B10MAOAMAOBLMNA
SCHEMBL3794847 0.83 CYP3A4 (0.46) ALDH1A1HSD17B10MAOAMAOBLMNA
SCHEMBL5764832 0.81 ALDH1A1 (0.38) ALDH1A1HSD17B10MAOALMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3625210-B1 SILICA-BASED ZINC CATALYSTS. THEIR PREPARATION AND USE IN THE ALKOXYCARBONYLATION OF AMINES COVESTRO INTELLECTUAL PROPERTY GMBH & CO KG (DE) 2021-06-23 EP disclosed
US-10807084-B2 Silica-based zinc catalysts, their preparation and use in the alkoxycarbonylation of amines COVESTRO DEUTSCHLAND AG (DE) 2020-10-20 US disclosed
US-20200147594-A1 SILICA-BASED ZINC CATALYSTS, THEIR PREPARATION AND USE IN THE ALKOXYCARBONYLATION OF AMINES COVESTRO DEUTSCHLAND AG (DE) 2020-05-14 US disclosed
CN-110650944-A Silica-based zinc catalysts, their preparation and use in the alkoxycarbonylation of amines 科思创德国股份有限公司 2020-01-03 CN disclosed
US-20120041207-A1 Compound STERIX LIMITED (GB) 2012-02-16 US disclosed
US-20110009448-A1 Compound STERIX LIMITED 2011-01-13 US disclosed
US-7786152-B2 Compound STERIX LIMITED (GB) 2010-08-31 US disclosed
US-20080114042-A1 Inhibiting 11 beta-hydroxysteroid dehydrogenase (11 beta-HSD); use of sulfonamide-substituted N-heterocyclics including pyrroles, oxazoles, thiazoles, imidazoles and their fused analogs to treat diabetes, obesity, hypertension, arthritis, asthma, osteoporosis, breast cancer STERIX LIMITED (GB) 2008-05-15 US disclosed
US-7309715-B2 Compound STERIX LIMITED (GB) 2007-12-18 US disclosed
EP-1556040-A1 INHIBITORS OF 11-BETA-HYDROXY STEROID DEHYDROGENASE TYPE 1 AND TYPE 2 Sterix Limited (GB) 2005-07-27 EP disclosed
US-20040143124-A1 Compound STERIX LIMITED (GB) 2004-07-22 US disclosed
WO-2004037251-A1 INHIBITORS OF 11-BETA-HYDROXY STEROID DEHYDROGENASE TYPE 1 AND TYPE 2 STERIX LIMITED (GB) 2004-05-06 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-20200147594-A1 SILICA-BASED ZINC CATALYSTS, THEIR PREPARATION AND USE IN THE ALKOXYCARBONYLATION OF AMINES CDYL, ZYX, CXXC4 ALDH1A1 4564/4885HSD17B10 3127/4885MAOA 421/4885
US-20080114042-A1 Inhibiting 11 beta-hydroxysteroid dehydrogenase (11 beta-HSD); use of sulfonamide-substituted N-heterocyclics including pyrroles, oxazoles, thiazoles, imidazoles and their fused analogs to treat diabetes, obesity, hypertension, arthritis, asthma, osteoporosis, breast cancer HSD11B1, HSD3B1, HSD11B2 ALDH1A1 236/4885HSD17B10 33/4885MAOA 2529/4885
US-10807084-B2 Silica-based zinc catalysts, their preparation and use in the alkoxycarbonylation of amines CDYL, ZYX, CXXC4 ALDH1A1 4564/4885HSD17B10 3127/4885MAOA 421/4885
US-20110009448-A1 Compound NR4A1, GPR6, PRMT6 ALDH1A1 1319/4885HSD17B10 1003/4885MAOA 1131/4885
US-20120041207-A1 Compound NR4A1, GPR6, PRMT6 ALDH1A1 1319/4885HSD17B10 1003/4885MAOA 1131/4885
US-20040143124-A1 Compound NR4A1, CBR1, NR2C2 ALDH1A1 553/4885HSD17B10 874/4885MAOA 844/4885

“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.