SCHEMBL701812

SCHEMBL701812

Cc1ccc(C#N)nc1C

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.44
NOS1 P29475 1/20 0.44
NOS2 P35228 1/20 0.44
EGLN2 Q96KS0 6/20 0.41
NQO1 P15559 1/20 0.40
SOS2 Q07890 1/20 0.38
HSD11B1 P28845 1/20 0.37
ALDH1A1 P00352 4/20 0.35
TSHR P16473 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
KDM4E B2RXH2 1/20 0.32
CYP2A6 P11509 1/20 0.32
POLB P06746 1/20 0.32
MAPK1 P28482 1/20 0.32
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
HTR2B P41595 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
SCHEMBL21928096 0.79 EGLN2 (0.40) EGLN2NQO1SOS2ALDH1A1TSHR
SCHEMBL21928126 0.79 NQO1 (0.39) EGLN2NQO1SOS2ALDH1A1TSHR
SCHEMBL2981097 0.77 NQO1 (0.38) EGLN2NQO1SOS2ALDH1A1TSHR
SCHEMBL16834623 0.77 SOS2 (0.44) EGLN2NQO1SOS2ALDH1A1TSHR
SCHEMBL588462 0.77 EGLN2 (0.50) EGLN2NQO1SOS2HSD11B1
SCHEMBL24141635 0.77 EGLN2 (0.39) EGLN2NQO1SOS2ALDH1A1MEN1
SCHEMBL1973272 0.77 SOS2 (0.48) EGLN2NQO1SOS2ALDH1A1KDM4E
SCHEMBL2291603 0.77 ALDH1A1 (0.44) EGLN2NQO1SOS2ALDH1A1TSHR
SCHEMBL1449669 0.77 EGLN2 (0.43) NOS3NOS1NOS2EGLN2NQO1
SCHEMBL29560656 0.77 NQO1 (0.38) EGLN2NQO1SOS2ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230250129-A1 NEUROACTIVE STEROIDS AND COMPOSITIONS THEREOF SAGE THERAPEUTICS, INC. 2023-08-10 US disclosed
WO-2023141511-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 VANDERBILT UNIVERSITY (US) 2023-07-27 WO disclosed
US-20220326230-A1 NOVEL FLAVORS, FLAVOR MODIFIERS, TASTANTS, TASTE ENHANCERS, UMAMI OR SWEET TASTANTS, AND/OR ENHANCERS AND USE THEREOF FIRMENICH INCORPORATED (US) 2022-10-13 US disclosed
WO-2022115620-A1 4-FLUORO-(4-(4-BENZYL)PIPERIDIN-1-YL)(2-(PYRIMIDIN-4-YL)PYRIDIN-3-YL)METHANONE DERIVATIVES AND SIMILAR COMPOUNDS AS CYP46A1 INHIBITORS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS SAGE THERAPEUTICS, INC. (US) 2022-06-02 WO disclosed
US-11319287-B2 Cyanopyrrolidines as dub inhibitors for the treatment of cancer MISSION THERAPEUTICS LIMITED (GB) 2022-05-03 US disclosed
US-11268952-B2 Flavors, flavor modifiers, tastants, taste enhancers, umami or sweet tastants, and/or enhancers and use thereof FIRMENICH INCORPORATED (US) 2022-03-08 US disclosed
EP-3800186-A1 CYANOPYRROLIDINES AS DUB INHIBITORS FOR THE TREATMENT OF CANCER Mission Therapeutics Limited (GB) 2021-04-07 EP disclosed
US-20200231542-A1 CYANOPYRROLIDINES AS DUB INHIBITORS FOR THE TREATMENT OF CANCER MISSION THERAPEUTICS LIMITED (GB) 2020-07-23 US disclosed
US-20200225217-A1 NOVEL FLAVORS, FLAVOR MODIFIERS, TASTANTS, TASTE ENHANCERS, UMAMI OR SWEET TASTANTS, AND/OR ENHANCERS AND USE THEREOF FIRMENICH INCORPORATED (US) 2020-07-16 US disclosed
US-10669234-B2 Cyanopyrrolidines as dub inhibitors for the treatment of cancer MISSION THERAPEUTICS LIMITED (GB) 2020-06-02 US disclosed
WO-2007059108-A2 SUBSTITUTED QUINOLONES AND METHODS OF USE CHEMOCENTRYX, INC. (US) 2007-05-24 WO disclosed
WO-2006084246-A2 AROMATIC AMIDES AND UREAS AND THEIR USES AS SWEET AND/OR UMAMI FLAVOR MODIFIERS, TASTANTS AND TASTE ENHANCERS SENOMYX, INC. (US) 2006-08-10 WO disclosed
WO-2006066968-A1 PYRIDINE COMPOUNDS FOR THE TREATMENT OF PROSTAGLANDIN MEDIATED DISEASES GLAXO GROUP LIMITED (GB) 2006-06-29 WO disclosed
EP-1659881-A2 NOVEL FLAVORS, FLAVOR MODIFIERS, TASTANTS, TASTE ENHANCERS, UMAMI OR SWEET TASTANTS, AND/OR ENHANCERS AND USE THEREOF Senomyx Inc. (US) 2006-05-31 EP disclosed
US-20060045953-A1 Aromatic amides and ureas and their uses as sweet and/or umami flavor modifiers, tastants and taste enhancers SENOMYX, INC. 2006-03-02 US disclosed
WO-2005041684-A2 NOVEL FLAVORS, FLAVOR MODIFIERS, TASTANTS, TASTE ENHANCERS, UMAMI OR SWEET TASTANTS, AND/OR ENHANCERS AND USE THEREOF SENOMYX INC. (US) 2005-05-12 WO disclosed
US-20050084506-A1 Amide compounds such as (R)-methyl 2-(3-chloro-4-methoxybenzamido)-4-methylpentanoate and urea compounds such as 1-(2-chlorophenyl)-3-(heptan-4-yl)urea for modulating taste of food or drug products FIRMENICH INCORPORATED 2005-04-21 US disclosed
US-5506227-A USEFUL AS ANTI-ASTHMATIC, ANTI-ALLERGIC, ANTI-INFLAMMATORY AND CYTOPROTECTIVE AGENTS MERCK FROSST CANADA, INC. (CA) 1996-04-09 US disclosed
EP-0639181-A1 PYRIDINE-SUBSTITUTED BENZYL ALCOHOLS AS LEUKOTRIENE ANTAGONISTS MERCK FROSST CANADA INC. (CA) 1995-02-22 EP disclosed
WO-1993021158-A1 PYRIDINE-SUBSTITUTED BENZYL ALCOHOLS AS LEUKOTRIENE ANTAGONISTS MERCK FROSST CANADA INC. (CA) 1993-10-28 WO 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-10669234-B2 Cyanopyrrolidines as dub inhibitors for the treatment of cancer USP30, USP39, UCHL1 NOS3 577/4885NOS1 444/4885NOS2 727/4885
US-20200225217-A1 NOVEL FLAVORS, FLAVOR MODIFIERS, TASTANTS, TASTE ENHANCERS, UMAMI OR SWEET TASTANTS, AND/OR ENHANCERS AND USE THEREOF TAS1R2, TAS1R1, TAS2R40 NOS3 362/4885NOS1 259/4885NOS2 344/4885
US-20230250129-A1 NEUROACTIVE STEROIDS AND COMPOSITIONS THEREOF MC2R, NR3C2, AVPR1B NOS3 2008/4885NOS1 1728/4885NOS2 2461/4885
US-20200231542-A1 CYANOPYRROLIDINES AS DUB INHIBITORS FOR THE TREATMENT OF CANCER USP30, USP39, UCHL1 NOS3 577/4885NOS1 444/4885NOS2 727/4885
US-20220326230-A1 NOVEL FLAVORS, FLAVOR MODIFIERS, TASTANTS, TASTE ENHANCERS, UMAMI OR SWEET TASTANTS, AND/OR ENHANCERS AND USE THEREOF TAS1R2, TAS1R1, TAS2R30 NOS3 339/4885NOS1 253/4885NOS2 335/4885
US-11319287-B2 Cyanopyrrolidines as dub inhibitors for the treatment of cancer USP30, USP39, UCHL1 NOS3 577/4885NOS1 444/4885NOS2 727/4885
US-11268952-B2 Flavors, flavor modifiers, tastants, taste enhancers, umami or sweet tastants, and/or enhancers and use thereof TAS2R40, TAS1R2, TAS1R1 NOS3 352/4885NOS1 300/4885NOS2 378/4885
US-20050084506-A1 Amide compounds such as (R)-methyl 2-(3-chloro-4-methoxybenzamido)-4-methylpentanoate and urea compounds such as 1-(2-chlorophenyl)-3-(heptan-4-yl)urea for modulating taste of food or drug products TAS2R40, TAS2R4, TAS2R30 NOS3 1165/4885NOS1 1395/4885NOS2 1674/4885

“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.