SCHEMBL606654

SCHEMBL606654

NC(=O)c1ccc(-c2cccnc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 14/20 1.00
MKNK2 Q9HBH9 14/20 1.00
CHEK2 O96017 1/20 0.67
F7 P08709 1/20 0.63
F3 P13726 1/20 0.63
SARM1 Q6SZW1 1/20 0.63
SIRT2 Q8IXJ6 1/20 0.63
SIRT6 Q8N6T7 1/20 0.63
SIRT1 Q96EB6 1/20 0.63
SIRT3 Q9NTG7 1/20 0.63
SIRT5 Q9NXA8 1/20 0.63
SIRT4 Q9Y6E7 1/20 0.63
FYN P06241 1/20 0.57
ALDH1A1 P00352 1/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2A6 P11509 1/20 0.56
MAP4K4 O95819 1/20 0.56
CA12 O43570 1/20 0.54
CA1 P00915 1/20 0.54

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
SCHEMBL30855339 1.00 MKNK1 (1.00) MKNK1MKNK2CHEK2F7F3
SCHEMBL27521530 0.86 MKNK1 (0.74) MKNK1MKNK2CHEK2F7F3
SCHEMBL27605181 0.85 MKNK1 (0.76) MKNK1MKNK2ALDH1A1CYP1A2CYP3A4
SCHEMBL4508905 0.84 MKNK1 (0.71) MKNK1MKNK2CHEK2F7F3
SCHEMBL208351 0.83 MKNK1 (1.00) MKNK1MKNK2ALDH1A1CYP1A2CYP3A4
SCHEMBL29788154 0.83 MKNK1 (1.00) MKNK1MKNK2ALDH1A1CYP1A2CYP3A4
SCHEMBL28305277 0.83 MKNK1 (0.71) MKNK1MKNK2CHEK2F7F3
SCHEMBL13188346 0.82 MKNK1 (0.77) MKNK1MKNK2CHEK2F7F3
SCHEMBL608617 0.82 KMO (0.73) MKNK1MKNK2CHEK2F7F3
SCHEMBL30108236 0.82 MKNK1 (0.77) MKNK1MKNK2CHEK2F7F3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210145818-A1 COMPOSITIONS INFUSED WITH NICOTINE COMPOUNDS AND METHODS OF USE THEREOF Poviva Corp. 2021-05-20 US claimed
EP-3781163-A1 COMPOSITIONS INFUSED WITH NICOTINE COMPOUNDS AND METHODS OF USE THEREOF Poviva Corp. (US) 2021-02-24 EP claimed
EP-3284467-B1 NICOTINE-CONTAINING PHARMACEUTICAL COMPOSITIONS NICONOVUM USA INC (US) 2019-10-30 EP claimed
WO-2019202396-A1 COMPOSITIONS INFUSED WITH NICOTINE COMPOUNDS AND METHODS OF USE THEREOF POVIVA TEA, LLC (US) 2019-10-24 WO claimed
CN-104837832-B GDF-8 inhibitors 里格尔药品股份有限公司 2019-04-26 CN claimed
US-9937168-B2 Nicotine-containing pharmaceutical compositions NICONOVUM USA, INC. (US) 2018-04-10 US claimed
EP-3284467-A1 NICOTINE-CONTAINING PHARMACEUTICAL COMPOSITIONS Niconovum USA, Inc. (US) 2018-02-21 EP claimed
EP-2566476-B1 NICOTINE-CONTAINING PHARMACEUTICAL COMPOSITIONS NICONOVUM USA INC (US) 2017-11-22 EP claimed
EP-2050749-B1 PYRIMIDINE DERIVATIVE AS PI3K INHIBITOR AND USE THEREOF CHUGAI PHARMACEUTICAL CO LTD (JP) 2017-11-22 EP claimed
US-20170326138-A1 NICOTINE-CONTAINING PHARMACEUTICAL COMPOSITIONS NICONOVUM USA, INC. (US) 2017-11-16 US claimed
US-20090258876-A1 NOVEL INDOL CARBOXYLIC ACID BISPYRIDYL CARBOXAMIDE DERIVATIVES, PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, PREPARATION METHOD AND COMPOSITION CONTAINING THE SAME AS AN ACTIVE INGREDIENT KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2009-10-15 US claimed
WO-2009125923-A2 NOVEL INDOL CARBOXYLIC ACID BISPYRIDYL CARBOXAMIDE DERIVATIVES, PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, PREPARATION METHOD AND COMPOSITION CONTAINING THE SAME AS AN ACTIVE INGREDIENT KOREA RESERACH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2009-10-15 WO claimed
EP-2108649-A1 Novel indol carboxylic acid bispyridyl carboxamide derivatives as 5-HT2c receptor antagonists Korea Research Institute of Chemical Technology (KR) 2009-10-14 EP claimed
EP-1660507-B1 PROTEASOME INHIBITORS AND METHODS OF USING THE SAME CEPHALON INC (US) 2009-08-05 EP claimed
EP-2050749-A1 PYRIMIDINE DERIVATIVE AS PI3K INHIBITOR AND USE THEREOF CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2009-04-22 EP claimed
US-20080207694-A1 Hydroxamates as Histone Deacetylase Inhibitors and Pharmaceutical Formulations Containing Them ROSSI CRISTINA 2008-08-28 US claimed
EP-1868997-A1 HYDROXAMATES AS HISTONE DEACETYLASE INHIBITORS AND PHARMACEUTICAL FORMULATIONS CONTAINING THEM Menarini International Operations Luxembourg S.A. (LU) 2007-12-26 EP claimed
CN-1867572-A proteasome inhibitors and methods of use thereof CEPHALON INC (US) 2006-11-22 CN claimed
WO-2006097460-A1 HYDROXAMATES AS HISTONE DEACETYLASE INHIBITORS AND PHARMACEUTICAL FORMULATIONS CONTAINING THEM MENARINI INTERNATIONAL OPERATIONS LUXEMBOURG S.A. (LU) 2006-09-21 WO claimed
US-20050107307-A1 Proteasome inhibitors and methods of using the same TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-05-19 US claimed

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-20050107307-A1 Proteasome inhibitors and methods of using the same PSMB11, PSMB5, PSMB6 MKNK1 715/4885MKNK2 933/4885CHEK2 1684/4885
US-20210145818-A1 COMPOSITIONS INFUSED WITH NICOTINE COMPOUNDS AND METHODS OF USE THEREOF CHRNA5, SLC18A3, CHRNA6 MKNK1 1785/4885MKNK2 1469/4885CHEK2 871/4885
US-20080207694-A1 Hydroxamates as Histone Deacetylase Inhibitors and Pharmaceutical Formulations Containing Them HDAC1, HDAC8, HDAC9 MKNK1 2355/4885MKNK2 2349/4885CHEK2 1463/4885
US-20090258876-A1 NOVEL INDOL CARBOXYLIC ACID BISPYRIDYL CARBOXAMIDE DERIVATIVES, PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, PREPARATION METHOD AND COMPOSITION CONTAINING THE SAME AS AN ACTIVE INGREDIENT HTR2C, HTR5A, HTR2A MKNK1 4008/4885MKNK2 3356/4885CHEK2 3623/4885

“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.