SCHEMBL2757253

SCHEMBL2757253

Cc1ncccc1-c1ccc(F)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MKNK1 Q9BUB5 1/20 0.59
▸ MKNK2 Q9HBH9 1/20 0.59
▸ TDO2 P48775 1/20 0.49
▸ PTGS2 P35354 3/20 0.47
▸ TOP1 P11387 2/20 0.45
▸ DHODH Q02127 1/20 0.44
▸ PTGS1 P23219 2/20 0.43
▸ FABP1 P07148 1/20 0.43
▸ MAPK14 Q16539 3/20 0.42
▸ TGFBR1 P36897 1/20 0.42
▸ PDE2A O00408 1/20 0.42
▸ PDE10A Q9Y233 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ THRB P10828 1/20 0.42
▸ SQOR Q9Y6N5 1/20 0.42
▸ AKT1 P31749 1/20 0.41
▸ GCGR P47871 1/20 0.41
▸ PRMT5 O14744 1/20 0.40
▸ WDR77 Q9BQA1 1/20 0.40
▸ MAPK10 P53779 1/20 0.40

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
SCHEMBL7662428 0.85 MKNK1 (0.61) MKNK1MKNK2TDO2PTGS2DHODH
SCHEMBL15730173 0.83 MKNK1 (0.59) MKNK1MKNK2PTGS2TOP1DHODH
SCHEMBL2084918 0.83 MKNK1 (0.58) MKNK1MKNK2TDO2PTGS2TOP1
SCHEMBL30563610 0.83 MKNK1 (0.58) MKNK1MKNK2TDO2PTGS2TOP1
SCHEMBL13368032 0.82 MKNK1 (0.62) MKNK1MKNK2PTGS2DHODHPTGS1
SCHEMBL18162732 0.82 MKNK1 (0.57) MKNK1MKNK2TDO2PTGS2DHODH
SCHEMBL20371666 0.82 MKNK1 (0.57) MKNK1MKNK2PTGS2DHODHPTGS1
SCHEMBL12988895 0.82 MKNK1 (0.62) MKNK1MKNK2PTGS2DHODHPTGS1
SCHEMBL4856400 0.81 MKNK1 (0.53) MKNK1MKNK2PTGS2TOP1DHODH
SCHEMBL3169258 0.81 TDP2 (0.50) PTGS2TOP1PTGS1FABP1MAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022257897-A1 ISOINDOLINONE COMPOUNDS, AND USES THEREOF HANGZHOU GLUBIO PHARMACEUTICAL CO., LTD. (CN) 2022-12-15 — — WO disclosed
US-20170137405-A1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. 2017-05-18 — — US disclosed
US-9540343-B2 Compounds for the treatment of HIV GILEAD SCIENCES, INC. (US) 2017-01-10 — — US disclosed
EP-2470021-B1 NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME (US) 2014-10-22 — — EP disclosed
US-20140142085-A1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. (US) 2014-05-22 — — US disclosed
US-8354403-B2 Pyrrolidine derived beta 3 adrenergic receptor agonists MERCK SHARP & DOHME CORP. (US) 2013-01-15 — — US disclosed
US-20120157432-A1 NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME, CORP. (US) 2012-06-21 — — US disclosed
US-20120004207-A1 THERAPEUTIC USES OF DERIVATIVES OF PIPERIDINYL-AND PIPERIDINYL-ALKYL CARBAMATES SANOFI-AVENTIS (FR) 2012-01-05 — — US disclosed
US-20120004207-A1 THERAPEUTIC USES OF DERIVATIVES OF PIPERIDINYL-AND PIPERIDINYL-ALKYL CARBAMATES SANOFI-AVENTIS (FR) 2012-01-05 — — US disclosed
EP-1633735-B1 DERIVATIVES OF PIPERIDINYL- AND PIPERAZINYL-ALKYL CARBAMATES, PREPARATION METHODS THEREOF AND APPLICATION OF SAME IN THERAPEUTICS SANOFI SA (FR) 2011-11-30 — — EP disclosed
US-8034818-B2 Therapeutic uses of derivatives of piperidinyl- and piperazinyl-alkyl carbamates SANOFI-AVENTIS (FR) 2011-10-11 — — US disclosed
US-8034818-B2 Therapeutic uses of derivatives of piperidinyl- and piperazinyl-alkyl carbamates SANOFI-AVENTIS (FR) 2011-10-11 — — US disclosed
WO-2011025690-A1 NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME CORP. (US) 2011-03-03 — — WO disclosed
US-7214798-B2 Derivatives of piperidinyl-and piperazinyl-alkyl carbamates, preparation methods thereof and application of same in therapeutics SANOFI-AVENTIS (FR) 2007-05-08 — — US disclosed
US-7214798-B2 Derivatives of piperidinyl-and piperazinyl-alkyl carbamates, preparation methods thereof and application of same in therapeutics SANOFI-AVENTIS (FR) 2007-05-08 — — 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-20120004207-A1 THERAPEUTIC USES OF DERIVATIVES OF PIPERIDINYL-AND PIPERIDINYL-ALKYL CARBAMATES CLCN2, CLIC1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 MKNK1 4723/4885MKNK2 4407/4885TDO2 4734/4885
US-20120157432-A1 NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS ADRB3, ADRB1, ADRB2 MKNK1 3035/4885MKNK2 2969/4885TDO2 2576/4885
US-20170137405-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN MKNK1 2159/4885MKNK2 2342/4885TDO2 4611/4885
US-20140142085-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN MKNK1 2159/4885MKNK2 2342/4885TDO2 4611/4885

“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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