SCHEMBL453493

SCHEMBL453493

N#Cc1ccc(C[S])nc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.42
ALDH1A1 P00352 5/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
MBOAT4 Q96T53 1/20 0.39
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 3/20 0.36
HTT P42858 2/20 0.36
CYP19A1 P11511 1/20 0.36
EGLN2 Q96KS0 1/20 0.36
CYP2A6 P11509 1/20 0.34
LOXL2 Q9Y4K0 1/20 0.34
XDH P47989 1/20 0.34
GRM5 P41594 1/20 0.34
FFAR1 O14842 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 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
SCHEMBL17845779 0.83 KDM4E (0.42) KDM4EALDH1A1L3MBTL1MBOAT4LMNA
SCHEMBL2633134 0.79 CYP2A6 (0.48) KDM4EALDH1A1L3MBTL1MBOAT4LMNA
SCHEMBL450943 0.79 KDM4E (0.42) KDM4EALDH1A1L3MBTL1MBOAT4LMNA
SCHEMBL17266360 0.79 KDM4E (0.42) KDM4EALDH1A1L3MBTL1MBOAT4LMNA
SCHEMBL4851284 0.79 LOXL2 (0.48) KDM4EALDH1A1L3MBTL1MBOAT4LMNA
SCHEMBL23171396 0.79 MEN1 (0.43) KDM4EALDH1A1L3MBTL1MBOAT4LMNA
SCHEMBL6245066 0.79 KDM4E (0.42) KDM4EALDH1A1L3MBTL1MBOAT4LMNA
SCHEMBL507552 0.79 KDM4E (0.42) KDM4EALDH1A1L3MBTL1MBOAT4LMNA
SCHEMBL450944 0.79 NOTUM (0.45) KDM4EALDH1A1L3MBTL1MBOAT4LMNA
SCHEMBL453494 0.79 KDM4E (0.42) KDM4EALDH1A1L3MBTL1MBOAT4LMNA

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 57 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-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
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
US-20200108083-A1 Boron Containing PDE4 Inhibitors PFIZER INC. (US) 2020-04-09 US disclosed
WO-2020070651-A1 BORON CONTAINING PDE4 INHIBITORS PFIZER INC. (US) 2020-04-09 WO disclosed
US-20150313891-A1 NEURONAL NICOTINIC AGONISTS AND METHODS OF USE ABBVIE INC. 2015-11-05 US disclosed
EP-2099795-B1 AZAADAMANTANE DERIVATIVES AND THEIR USES AS NICOTINIC ACETYLCHOLINE RECEPTORS LIGANDS ABBVIE BAHAMAS LTD (BS) 2015-08-19 EP disclosed
WO-2008058096-A9 AZAADAMANTANE DERIVATIVES AND THEIR USES AS NICOTINIC ACETYLCHOLINE RECEPTORS LIGANDS ABBOTT LAB (US) 2008-06-26 WO disclosed
US-20080153860-A1 SPIROCYCLIC AZAADAMANTANE DERIVATIVES AND METHODS OF USE ABBOTT LABORATORIES (US) 2008-06-26 US disclosed
WO-2008058096-A2 AZAADAMANTANE DERIVATIVES AND THEIR USES AS NICOTINIC ACETYLCHOLINE RECEPTORS LIGANDS ABBOTT LABORATORIES (US) 2008-05-15 WO disclosed
US-20070072892-A1 Amino-aza-adamantane derivatives and methods of use ABBOTT LABORATORIES 2007-03-29 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
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 (12 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 KDM4E 406/4885ALDH1A1 218/4885L3MBTL1 3005/4885
US-20070072892-A1 Amino-aza-adamantane derivatives and methods of use CHRNA7, CHRNA5, CHRNA1 KDM4E 1441/4885ALDH1A1 1034/4885L3MBTL1 3923/4885
US-20080153860-A1 SPIROCYCLIC AZAADAMANTANE DERIVATIVES AND METHODS OF USE NR3C2, REN, GNE KDM4E 1012/4885ALDH1A1 290/4885L3MBTL1 4885/4885
US-20060173050-A1 Inhibitors of c-Jun N-terminal kinases MAPKAPK3, MAP3K3, MAPK3 KDM4E 2987/4885ALDH1A1 4339/4885L3MBTL1 1511/4885
US-20050171131-A1 Diaminopyrimidine derivatives as growth hormone secrectgogue receptor (GHS-R) antagonists GHSR, GIPR, GPR119 KDM4E 1308/4885ALDH1A1 2435/4885L3MBTL1 4050/4885
US-20050171132-A1 Diaminopyrimidine derivatives as selective growth hormone secrectgogue receptor (GHS-R) antagonists GHSR, GIPR, GPR119 KDM4E 1366/4885ALDH1A1 3084/4885L3MBTL1 4194/4885
US-20210069219-A1 Boron Containing PDE4 Inhibitors PDE4B, PDE4A, PDE3B KDM4E 406/4885ALDH1A1 1423/4885L3MBTL1 3173/4885
US-20150313891-A1 NEURONAL NICOTINIC AGONISTS AND METHODS OF USE CHRNA7, CHRNA2, CHRNA5 KDM4E 2138/4885ALDH1A1 864/4885L3MBTL1 1367/4885
US-20050070712-A1 Pyrimidine derivatives as ghrelin receptor modulators GPR119, GIPR, GCGR KDM4E 1540/4885ALDH1A1 2333/4885L3MBTL1 4387/4885
US-20200108083-A1 Boron Containing PDE4 Inhibitors PDE4B, PDE4A, PDE3B KDM4E 406/4885ALDH1A1 1423/4885L3MBTL1 3173/4885
US-20230148402-A1 Boron Containing PDE4 Inhibitors PDE4B, PDE4A, PDE3B KDM4E 406/4885ALDH1A1 1423/4885L3MBTL1 3173/4885
US-10946031-B2 PDE4 inhibitor (R)-4-(5-(4-methoxy-3-propoxyphenyl)pyridin-3-yl)-1,2-oxaborolan-2-ol PDE4A, PDE4B, PDE12 KDM4E 238/4885ALDH1A1 249/4885L3MBTL1 3777/4885

“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.