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Sugi Predict / Compounds / SCHEMBL4461397

SCHEMBL4461397

SCHEMBL4461397

CCc1c(C(=O)NC(=N)N)cnn1-c1ccc2ncn(C)c2c1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NR4A3 Q92570 1/20 0.39
▸ HSD11B1 P28845 1/20 0.38
▸ MAT2A P31153 1/20 0.36
▸ MALT1 Q9UDY8 1/20 0.34
▸ NOTUM Q6P988 2/20 0.33
▸ MST1R Q04912 1/20 0.33
▸ SYK P43405 1/20 0.33
▸ ALDH1A1 P00352 4/20 0.32
▸ POLB P06746 2/20 0.32
▸ DYRK1A Q13627 1/20 0.32
▸ F9 P00740 1/20 0.32
▸ F10 P00742 1/20 0.32
▸ CHRNA7 P36544 1/20 0.32
▸ MAPT P10636 2/20 0.32
▸ MAPK14 Q16539 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ MAPK1 P28482 1/20 0.32

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 SCHEMBL6313420 0.99 NR4A3 (0.38) NR4A3HSD11B1MAT2AMALT1NOTUM
SCHEMBL6312388 0.83 NR4A3 (0.57) NR4A3HSD11B1MAT2ANOTUMSYK
SCHEMBL6312364 0.83 NR4A3 (0.43) NR4A3HSD11B1MAT2ANOTUMMST1R
SCHEMBL4461406 0.82 SLC9A1 (0.42) NR4A3HSD11B1MAT2ANOTUMSYK
Hydrochloric Acid SCHEMBL6313424 0.81 SLC9A1 (0.42) NR4A3HSD11B1MAT2ANOTUMSYK
SCHEMBL4458512 0.80 MALT1 (0.43) NR4A3HSD11B1MAT2AMALT1SYK
SCHEMBL6215993 0.80 FGFR1 (0.46) NR4A3HSD11B1SYKALDH1A1POLB
Hydrochloric Acid SCHEMBL6313508 0.80 MALT1 (0.42) NR4A3HSD11B1MAT2AMALT1SYK
Hydrochloric Acid SCHEMBL6320592 0.79 NPC1 (0.39) NR4A3HSD11B1MAT2AMALT1SYK
SCHEMBL4452229 0.78 NR4A3 (0.39) NR4A3HSD11B1MALT1MST1RALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1216257-B1 COMPOUNDS FOR THE TREATMENT OF ISCHEMIA PFIZER PROD INC (US) 2005-12-07 — — EP claimed
US-20050171049-A1 Compounds for the treatment of ischemia DENINNO MICHAEL P (US) 2005-08-04 — — US claimed
EP-1056729-B1 N-[(SUBSTITUTED FIVE-MEMBERED DI- OR TRIAZA DIUNSATURATED RING)CARBONYL]GUANIDINE DERIVATIVES FOR THE TREATMENT OF ISCHEMIA PFIZER PROD INC (US) 2004-12-29 — — EP claimed
US-20040198693-A1 Compounds for the treatment of ischemia DENINNO MICHAEL P (US) 2004-10-07 — — US claimed
US-20040077671-A1 Sorbitol dehydrogenase inhibitors CHU-MOYER MARGARET Y (US) 2004-04-22 — — US claimed
US-20030212072-A1 Salts of zopolrestat MYLARI BANAVARA L (US) 2003-11-13 — — US claimed
US-6602875-B2 Sorbitol dehydrogenase inhibitors PFIZER INC 2003-08-05 — — US claimed
US-20030065179-A1 Sorbitol dehydrogenase inhibitors CHU-MOYER MARGARET Y (US) 2003-04-03 — — US claimed
US-20030055021-A1 Compounds for the treatment of ischemia PFIZER, INC. 2003-03-20 — — US claimed
CN-1370531-A Combined therapy PFIZER PRODUCT CO (US) 2002-09-25 — — CN claimed
US-20010056095-A1 Salts of zopolrestat MYLARI BANAVARA L (US) 2001-12-27 — — US claimed
US-7572910-B2 Pyridazinone aldose reductase inhibitors PFIZER, INC. (US) 2009-08-11 — — US disclosed
EP-1491541-B1 Pyridazinone aldose reductase inhibitors PFIZER PROD INC (US) 2007-01-24 — — EP disclosed
EP-1216257-B1 COMPOUNDS FOR THE TREATMENT OF ISCHEMIA PFIZER PROD INC (US) 2005-12-07 — — EP disclosed
US-6936600-B2 Sorbitol dehrydrogenase inhibitors PFIZER INC (US) 2005-08-30 — — US disclosed
US-20020099075-A1 COMBINATION THERAPY TRACEY WAYNE R (US) 2002-07-25 — — US disclosed
US-6414149-B1 TREATING DIABETES, TREATING OR PREVENTING DIABETIC COMPLICATIONS PFIZER INC. 2002-07-02 — — US disclosed
US-20010056095-A1 Salts of zopolrestat MYLARI BANAVARA L (US) 2001-12-27 — — US disclosed
US-6294538-B1 ANTIDIABETIC AGENTS AND DIABETIC NEUROPATHY, TREATMENT WITH OXIDOREDUCTASE ENZYMES PFIZER INC. 2001-09-25 — — US disclosed
EP-1041068-A1 Compounds for treating and preventing diabetic complications Pfizer Products Inc. (US) 2000-10-04 — — EP 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 (8 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-20050171049-A1 Compounds for the treatment of ischemia TNNI3, ADRB3, TBXA2R NR4A3 439/4885HSD11B1 1220/4885MAT2A 2141/4885
US-20010056095-A1 Salts of zopolrestat SLC5A1, SLC5A2, SLC2A1 NR4A3 2795/4885HSD11B1 313/4885MAT2A 1478/4885
US-20030055021-A1 Compounds for the treatment of ischemia TNNI3, ADRB3, FABP3 NR4A3 402/4885HSD11B1 920/4885MAT2A 2011/4885
US-20040077671-A1 Sorbitol dehydrogenase inhibitors SLC5A1, SORD, SLC5A2 NR4A3 4351/4885HSD11B1 125/4885MAT2A 721/4885
US-20030212072-A1 Salts of zopolrestat SLC5A1, SLC5A2, SLC2A1 NR4A3 2795/4885HSD11B1 313/4885MAT2A 1478/4885
US-20030065179-A1 Sorbitol dehydrogenase inhibitors SLC5A1, SORD, SLC5A2 NR4A3 4351/4885HSD11B1 125/4885MAT2A 721/4885
US-20040198693-A1 Compounds for the treatment of ischemia TNNI3, ADRB3, FABP3 NR4A3 210/4885HSD11B1 1412/4885MAT2A 2382/4885
US-20020099075-A1 COMBINATION THERAPY TFPI, SLC9A1, TFPI2 NR4A3 4694/4885HSD11B1 2700/4885MAT2A 1413/4885

“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.