SCHEMBL3996434

SCHEMBL3996434

C1CN(c2nnn[nH]2)CCO1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIM1 P11309 1/20 0.40
▸ GAA P10253 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ POLB P06746 1/20 0.37
▸ ALDH1A1 P00352 3/20 0.36
▸ TSHR P16473 2/20 0.36
▸ ADRA2A P08913 1/20 0.35
▸ ADRA2B P18089 1/20 0.35
▸ ADRA2C P18825 1/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ LMNA P02545 2/20 0.34
▸ MAPT P10636 2/20 0.34
▸ KDM4E B2RXH2 2/20 0.33
▸ PIK3CD O00329 1/20 0.33
▸ PIK3CA P42336 1/20 0.33
▸ PIK3CB P42338 1/20 0.33
▸ TYMP P19971 1/20 0.33
▸ LRRK2 Q5S007 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
SCHEMBL10274656 0.78 CYP1A2 (0.37) PIM1GAATP53POLBALDH1A1
SCHEMBL5394656 0.78 CYP1A2 (0.37) PIM1GAATP53POLBALDH1A1
SCHEMBL943173 0.78 CYP1A2 (0.37) PIM1GAATP53POLBALDH1A1
SCHEMBL4168826 0.71 CTSL (0.33) —
Hydrochloric Acid SCHEMBL13275510 0.71 AKT2 (0.36) TSHRMEN1KMT2A
SCHEMBL4982004 0.67 HPGD (0.43) GAAALDH1A1MEN1KMT2AHSD17B10
SCHEMBL16830368 0.66 ALDH1A1 (0.32) ALDH1A1
SCHEMBL3111664 0.65 GAA (0.46) PIM1GAATP53POLBALDH1A1
SCHEMBL3701153 0.65 LMNA (0.42) PIM1GAATP53POLBALDH1A1
SCHEMBL21914523 0.64 PIM1 (0.49) PIM1GAATP53POLBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2872511-B1 IMIDAZOPYRAZINE DERIVATIVES AS MODULATORS OF TNF ACTIVITY UCB BIOPHARMA SPRL (BE) 2019-01-16 — — EP claimed
EP-2872508-B1 IMIDAZOPYRIDINE DERIVATIVES AS MODULATORS OF TNF ACTIVITY UCB BIOPHARMA SPRL (BE) 2018-08-29 — — EP claimed
EP-2858983-B1 TNF-ALPHA MODULATING BENZIMIDAZOLES UCB BIOPHARMA SPRL (BE) 2018-04-18 — — EP claimed
US-20090018123-A1 Oxazolidinones Bearing Antimicrobial Activity Composition and Methods of Preparation SINDKHEDKAR MILIND D 2009-01-15 — — US claimed
EP-1912980-A2 OXAZOLIDINONES BEARING ANTIMICROBIAL ACTIVITY COMPOSITION AND METHODS OF PREPARATION Wockhardt Limited (IN) 2008-04-23 — — EP claimed
WO-2007023507-A2 OXAZOLIDINONES BEARING ANTIMICROBIAL ACTIVITY COMPOSITION AND METHODS OF PREPARATION WOCKHARDT LIMITED (IN) 2007-03-01 — — WO claimed
US-20050271615-A1 Self-immolative dendrimers releasing many active moieties upon a single activating event RAMOT AT TEL AVIV UNIVERSITY LTD. (IL) 2005-12-08 — — US claimed
WO-2020191501-A1 METHODS AND USES OF BEMITHYL AND DERIVATIVES FOR TREATING LUNG DISEASE, FATTY LIVER DISEASE, AND KIDNEY DISORDERS ALGERNON PHARMACEUTICALS INC. (CA) 2020-10-01 — — WO disclosed
EP-3080127-B1 IMIDAZOPYRIMIDINE DERIVATIVES AS MODULATORS OF TNF ACTIVITY UCB Biopharma SRL (BE) 2020-06-24 — — EP disclosed
EP-3080128-B1 IMIDAZOPYRIDAZINE DERIVATIVES AS MODULATORS OF TNF ACTIVITY UCB Biopharma SRL (BE) 2020-06-24 — — EP disclosed
EP-3080123-B1 IMIDAZOPYRIDINE DERIVATIVES AS MODULATORS OF TNF ACTIVITY UCB Biopharma SRL (BE) 2020-06-17 — — EP disclosed
EP-3080129-B1 IMIDAZOTRIAZINE DERIVATIVES AS MODULATORS OF TNF ACTIVITY UCB Biopharma SRL (BE) 2020-06-03 — — EP disclosed
EP-3080117-B1 IMIDAZOPYRIDINE DERIVATIVES AS MODULATORS OF TNF ACTIVITY UCB Biopharma SRL (BE) 2020-06-03 — — EP disclosed
EP-1638953-B1 3-SUBSTITUTED 5,6-DIARYL-PYRAZINE-2-CARBOXAMIDE AND -2-SULFONAMIDE DERIVATIVES AS CB1 MODULATORS ASTRAZENECA AB (SE) 2008-08-27 — — EP disclosed
EP-1912980-A2 OXAZOLIDINONES BEARING ANTIMICROBIAL ACTIVITY COMPOSITION AND METHODS OF PREPARATION Wockhardt Limited (IN) 2008-04-23 — — EP disclosed
US-20070093484-A1 3-Substituted 5,6-diaryl-pyrazine-2-carboxamide and -2-sulfonamide derivatives as cb1 modulators ASTRAZENECA AB (SE) 2007-04-26 — — US disclosed
WO-2007023507-A2 OXAZOLIDINONES BEARING ANTIMICROBIAL ACTIVITY COMPOSITION AND METHODS OF PREPARATION WOCKHARDT LIMITED (IN) 2007-03-01 — — WO disclosed
EP-1638953-A1 3-SUBSTITUTED 5,6-DIARYL-PYRAZINE-2-CARBOXAMIDE AND -2-SULFONAMIDE DERIVATIVES AS CB1 MODULATORS AstraZeneca AB (SE) 2006-03-29 — — EP disclosed
WO-2004111034-A1 3-SUBSTITUTED 5,6-DIARYL-PYRAZINE-2-CARBOXAMIDE AND -2-SULFONAMIDE DERIVATIVES AS CB1 MODULATORS ASTRAZENECA AB (SE) 2004-12-23 — — WO disclosed
US-6048885-A FUNGICIDES SHIONOGI & CO., LTD. (JP) 2000-04-11 — — 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 (3 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-20070093484-A1 3-Substituted 5,6-diaryl-pyrazine-2-carboxamide and -2-sulfonamide derivatives as cb1 modulators CNR2, CNR1, FAAH PIM1 4371/4885GAA 3433/4885TP53 4851/4885
US-20090018123-A1 Oxazolidinones Bearing Antimicrobial Activity Composition and Methods of Preparation POLL, POLM, POLRMT PIM1 4606/4885GAA 1145/4885TP53 1526/4885
US-20050271615-A1 Self-immolative dendrimers releasing many active moieties upon a single activating event CASP9, BID, APAF1 PIM1 1118/4885GAA 149/4885TP53 910/4885

“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.

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