SCHEMBL453184

SCHEMBL453184

N#Cc1ccc(C[O])cn1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.39
AR P10275 1/20 0.38
KCNQ3 O43525 1/20 0.38
KCNQ2 O43526 1/20 0.38
NAMPT P43490 1/20 0.36
GRM2 Q14416 2/20 0.36
CHEK1 O14757 2/20 0.36
PARP14 Q460N5 1/20 0.36
FFAR1 O14842 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35
PRMT5 O14744 2/20 0.34
WDR77 Q9BQA1 2/20 0.34
EGLN1 Q9GZT9 2/20 0.34
EGLN2 Q96KS0 1/20 0.34
GRIN2B Q13224 1/20 0.33
GPR52 Q9Y2T5 1/20 0.33
CTSC P53634 1/20 0.33

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
SCHEMBL31477288 0.80 BRD4 (0.40) BRD4ARKCNQ3KCNQ2NAMPT
SCHEMBL28939224 0.80 BRD4 (0.40) BRD4ARKCNQ3KCNQ2NAMPT
SCHEMBL2643631 0.79 BRD4 (0.36) BRD4ARKCNQ3KCNQ2NAMPT
SCHEMBL453185 0.79 CHEK1 (0.44) BRD4ARKCNQ3KCNQ2NAMPT
SCHEMBL452012 0.79 BRD4 (0.36) BRD4ARKCNQ3KCNQ2NAMPT
SCHEMBL24146512 0.79 GAA (0.38) BRD4ARNAMPTGRM2CHEK1
SCHEMBL452013 0.79 BRD4 (0.36) BRD4ARNAMPTGRM2CHEK1
SCHEMBL507109 0.79 AR (0.41) BRD4ARKCNQ3KCNQ2NAMPT
SCHEMBL128983 0.79 AR (0.38) BRD4ARKCNQ3KCNQ2NAMPT
SCHEMBL2372370 0.79 LOXL2 (0.48) BRD4ARNAMPTGRM2CHEK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3861001-B1 BORON CONTAINING PDE4 INHIBITORS PFIZER (US) 2023-12-13 EP disclosed
US-20230338344-A1 AMPK Activators and Methods of Use Thereof BIOVERATIV THERAPEUTICS INC. (US) 2023-10-26 US disclosed
EP-4221700-A1 AMPK ACTIVATORS AND METHODS OF USE THEREOF Bioverativ Therapeutics Inc. (US) 2023-08-09 EP disclosed
CN-116322663-A AMPK activators and methods of use thereof 比奥维拉迪维治疗股份有限公司 2023-06-23 CN disclosed
US-20230148402-A1 Boron Containing PDE4 Inhibitors PFIZER INC. (US) 2023-05-11 US disclosed
US-11559538-B2 Substituted 1,2-oxaborolan-2-ols as PDE4 inhibitors PFIZER INC. (US) 2023-01-24 US disclosed
EP-3861001-A1 BORON CONTAINING PDE4 INHIBITORS Pfizer Inc. (US) 2021-08-11 EP disclosed
CN-113166177-A Boron-containing PDE4 inhibitors 辉瑞公司 2021-07-23 CN disclosed
US-10946031-B2 PDE4 inhibitor (R)-4-(5-(4-methoxy-3-propoxyphenyl)pyridin-3-yl)-1,2-oxaborolan-2-ol PFIZER INC. (US) 2021-03-16 US disclosed
US-20210069219-A1 Boron Containing PDE4 Inhibitors PFIZER INC. (US) 2021-03-11 US disclosed
WO-2007038058-A2 AMINO-AZA-ADAMANTANE DERIVATIVES AND METHODS OF USE ABBOTT LABORATORIES (US) 2007-04-05 WO disclosed
US-20070072892-A1 Amino-aza-adamantane derivatives and methods of use ABBOTT LABORATORIES 2007-03-29 US disclosed
US-20070037801-A1 {1-[(1-methylpiperidin-2-yl)methyl]-1H-indol-3-yl}(2,2,3,3-tetramethylcyclopropyl)methanone toluenesufonic acid salt; selectively target cannaboid B2 receptors; analgesics for both nociceptive and neuropathic pain; side effect reduction; immunology modulators; antiinflammatory agents; neuroprotectants ABBVIE INC. 2007-02-15 US disclosed
WO-2006083673-A2 PYRIDINE DERIVATIVES USEFUL AS INHIBITORS OF C-JUN N-TERMINAL KINASES ABBOTT LABORATORIES (US) 2006-08-10 WO disclosed
US-20060173050-A1 Inhibitors of c-Jun N-terminal kinases ABBVIE INC. 2006-08-03 US disclosed
WO-2006069196-A1 3-CYCLOALKYLCARBONYL INDOLES AS CANNABINOID RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2006-06-29 WO disclosed
US-20050171132-A1 Diaminopyrimidine derivatives as selective growth hormone secrectgogue receptor (GHS-R) antagonists XIN ZHILI (US) 2005-08-04 US disclosed
US-20050171131-A1 Diaminopyrimidine derivatives as growth hormone secrectgogue receptor (GHS-R) antagonists KOSOGOF CHRISTI (US) 2005-08-04 US disclosed
WO-2005030734-A1 DIAMINOPYRIMIDINE DERIVATIVES AS SELECTIVE GROWTH HORMONE SECRECTGOGUE RECEPTOR (GHS-R) ANTAGONISTS ABBOTT LABORATORIES (US) 2005-04-07 WO disclosed
US-20050070712-A1 Pyrimidine derivatives as ghrelin receptor modulators ABBOTT LABORATORIES 2005-03-31 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 (11 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-11559538-B2 Substituted 1,2-oxaborolan-2-ols as PDE4 inhibitors PDE4B, PDE4A, PDE3B BRD4 217/4885AR 1394/4885KCNQ3 1401/4885
US-20070072892-A1 Amino-aza-adamantane derivatives and methods of use CHRNA7, CHRNA5, CHRNA1 BRD4 2291/4885AR 1812/4885KCNQ3 1765/4885
US-20060173050-A1 Inhibitors of c-Jun N-terminal kinases MAPKAPK3, MAP3K3, MAPK3 BRD4 738/4885AR 4132/4885KCNQ3 2772/4885
US-20230338344-A1 AMPK Activators and Methods of Use Thereof PRKAG2, PRKAG3, PRKAG1 BRD4 2598/4885AR 1642/4885KCNQ3 3758/4885
US-20050171131-A1 Diaminopyrimidine derivatives as growth hormone secrectgogue receptor (GHS-R) antagonists GHSR, GIPR, GPR119 BRD4 2202/4885AR 1539/4885KCNQ3 4168/4885
US-20070037801-A1 {1-[(1-methylpiperidin-2-yl)methyl]-1H-indol-3-yl}(2,2,3,3-tetramethylcyclopropyl)methanone toluenesufonic acid salt; selectively target cannaboid B2 receptors; analgesics for both nociceptive and neuropathic pain; side effect reduction; immunology modulators; antiinflammatory agents; neuroprotectants CNR2, CNR1, TRPV1 BRD4 326/4885AR 1891/4885KCNQ3 3279/4885
US-20050171132-A1 Diaminopyrimidine derivatives as selective growth hormone secrectgogue receptor (GHS-R) antagonists GHSR, GIPR, GPR119 BRD4 1998/4885AR 1497/4885KCNQ3 4188/4885
US-20210069219-A1 Boron Containing PDE4 Inhibitors PDE4B, PDE4A, PDE3B BRD4 143/4885AR 1461/4885KCNQ3 1062/4885
US-20050070712-A1 Pyrimidine derivatives as ghrelin receptor modulators GPR119, GIPR, GCGR BRD4 1365/4885AR 504/4885KCNQ3 4516/4885
US-20230148402-A1 Boron Containing PDE4 Inhibitors PDE4B, PDE4A, PDE3B BRD4 143/4885AR 1461/4885KCNQ3 1062/4885
US-10946031-B2 PDE4 inhibitor (R)-4-(5-(4-methoxy-3-propoxyphenyl)pyridin-3-yl)-1,2-oxaborolan-2-ol PDE4A, PDE4B, PDE12 BRD4 125/4885AR 843/4885KCNQ3 1944/4885

“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.