Sugi Predict

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SCHEMBL4461406

SCHEMBL4461406

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC9A1 P19634 7/20 0.42
▸ SLC9A2 Q9UBY0 4/20 0.42
▸ NR4A3 Q92570 1/20 0.40
▸ OPRM1 P35372 1/20 0.36
▸ OPRD1 P41143 1/20 0.36
▸ OPRK1 P41145 1/20 0.36
▸ MAT2A P31153 1/20 0.34
▸ SYK P43405 1/20 0.33
▸ HSD11B1 P28845 1/20 0.33
▸ DYRK1A Q13627 1/20 0.33
▸ NOTUM Q6P988 2/20 0.32
▸ FGFR1 P11362 1/20 0.32
▸ SRC P12931 1/20 0.32
▸ FGFR2 P21802 1/20 0.32
▸ FGFR4 P22455 1/20 0.32
▸ FGFR3 P22607 1/20 0.32
▸ KDR P35968 1/20 0.32
▸ LMNA P02545 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ SMN1; SMN2 Q16637 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
Hydrochloric Acid SCHEMBL6313424 0.99 SLC9A1 (0.42) SLC9A1SLC9A2NR4A3OPRM1OPRD1
SCHEMBL6312388 0.85 NR4A3 (0.57) NR4A3MAT2ASYKHSD11B1DYRK1A
SCHEMBL6312364 0.82 NR4A3 (0.43) NR4A3MAT2AHSD11B1NOTUMFGFR1
SCHEMBL4461397 0.82 NR4A3 (0.39) NR4A3MAT2ASYKHSD11B1DYRK1A
Hydrochloric Acid SCHEMBL6313420 0.81 NR4A3 (0.38) NR4A3MAT2ASYKHSD11B1DYRK1A
SCHEMBL4458516 0.80 SLC9A1 (0.49) SLC9A1SLC9A2NR4A3OPRM1OPRD1
Hydrochloric Acid SCHEMBL6313517 0.79 SLC9A1 (0.48) SLC9A1SLC9A2NR4A3OPRM1OPRD1
Hydrochloric Acid SCHEMBL6320600 0.78 SLC9A1 (0.43) SLC9A1SLC9A2NR4A3OPRM1OPRD1
SCHEMBL4452234 0.78 SLC9A1 (0.42) SLC9A1SLC9A2NR4A3OPRM1OPRD1
Hydrochloric Acid SCHEMBL6319220 0.78 SLC9A1 (0.45) SLC9A1SLC9A2NR4A3OPRM1OPRD1

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 47 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 SLC9A1 1320/4885SLC9A2 1706/4885NR4A3 439/4885
US-20010056095-A1 Salts of zopolrestat SLC5A1, SLC5A2, SLC2A1 SLC9A1 20/4885SLC9A2 42/4885NR4A3 2795/4885
US-20030055021-A1 Compounds for the treatment of ischemia TNNI3, ADRB3, FABP3 SLC9A1 1826/4885SLC9A2 2444/4885NR4A3 402/4885
US-20040077671-A1 Sorbitol dehydrogenase inhibitors SLC5A1, SORD, SLC5A2 SLC9A1 14/4885SLC9A2 23/4885NR4A3 4351/4885
US-20030212072-A1 Salts of zopolrestat SLC5A1, SLC5A2, SLC2A1 SLC9A1 20/4885SLC9A2 42/4885NR4A3 2795/4885
US-20030065179-A1 Sorbitol dehydrogenase inhibitors SLC5A1, SORD, SLC5A2 SLC9A1 14/4885SLC9A2 23/4885NR4A3 4351/4885
US-20040198693-A1 Compounds for the treatment of ischemia TNNI3, ADRB3, FABP3 SLC9A1 3134/4885SLC9A2 3290/4885NR4A3 210/4885
US-20020099075-A1 COMBINATION THERAPY TFPI, SLC9A1, TFPI2 SLC9A1 2/4885SLC9A2 13/4885NR4A3 4694/4885

“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.