SCHEMBL949223

SCHEMBL949223

[CH](Cc1ccccc1)N1CCCCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.48
HPGD P15428 1/20 0.48
SIGMAR1 Q99720 3/20 0.48
MAOB P27338 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
SLC6A3 Q01959 1/20 0.45
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
MAPK1 P28482 1/20 0.44
NPC1 O15118 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
CHKA P35790 1/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL945418 0.98 MAOB (0.48) TSHRHPGDSIGMAR1MAOBL3MBTL1
SCHEMBL1850666 0.79 MC4R (0.55) HPGDSIGMAR1MAOBMAPTMAPK1
SCHEMBL4696739 0.79 SIGMAR1 (0.55) TSHRSIGMAR1MAOBSLC6A3ALDH1A1
SCHEMBL6664087 0.79 MAPK1 (0.60) TSHRHPGDSIGMAR1MAOBL3MBTL1
SCHEMBL946953 0.79 LMNA (0.50) TSHRHPGDSIGMAR1MAOBALDH1A1
SCHEMBL6664094 0.77 MAPK1 (0.62) TSHRHPGDSIGMAR1MAOBL3MBTL1
SCHEMBL11127227 0.74 SIGMAR1 (0.53) SIGMAR1SLC6A3
SCHEMBL6957331 0.74 SIGMAR1 (0.44) TSHRHPGDSIGMAR1MAOBL3MBTL1
SCHEMBL4422938 0.71 NPC1 (0.53) TSHRHPGDALDH1A1LMNANPC1
SCHEMBL6986825 0.71 KMT2A (0.41) L3MBTL1ALDH1A1LMNAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3212647-B1 NOVEL PYRIDOPYRIMIDINONE COMPOUNDS FOR MODULATING THE CATALYTIC ACTIVITY OF HISTONE LYSINE DEMETHYLASES (KDMS) DONG A ST CO LTD (KR) 2019-04-03 EP claimed
US-9834550-B2 Pyridopyrimidinone compounds for modulating the catalytic activity of histone lysine demethylases (KDMs) DONG-A ST CO., LTD. (KR) 2017-12-05 US claimed
EP-3212647-A2 NOVEL PYRIDOPYRIMIDINONE COMPOUNDS FOR MODULATING THE CATALYTIC ACTIVITY OF HISTONE LYSINE DEMETHYLASES (KDMS) Dong-A ST Co., Ltd. (KR) 2017-09-06 EP claimed
WO-2016068580-A2 NOVEL PYRIDOPYRIMIDINONE COMPOUNDS FOR MODULATING THE CATALYTIC ACTIVITY OF HISTONE LYSINE DEMETHYLASES (KDMS) DONG-A SOCIO HOLDINGS CO., LTD. (KR) 2016-05-06 WO claimed
US-20160122343-A1 Novel Pyridopyrimidinone Compounds for Modulating the Catalytic Activity of Histone Lysine Demethylases (KDMs) DONG-A ST CO., LTD. (KR) 2016-05-05 US claimed
EP-3212647-B1 NOVEL PYRIDOPYRIMIDINONE COMPOUNDS FOR MODULATING THE CATALYTIC ACTIVITY OF HISTONE LYSINE DEMETHYLASES (KDMS) DONG A ST CO LTD (KR) 2019-04-03 EP disclosed
US-9834550-B2 Pyridopyrimidinone compounds for modulating the catalytic activity of histone lysine demethylases (KDMs) DONG-A ST CO., LTD. (KR) 2017-12-05 US disclosed
EP-3212647-A2 NOVEL PYRIDOPYRIMIDINONE COMPOUNDS FOR MODULATING THE CATALYTIC ACTIVITY OF HISTONE LYSINE DEMETHYLASES (KDMS) Dong-A ST Co., Ltd. (KR) 2017-09-06 EP disclosed
WO-2016068580-A2 NOVEL PYRIDOPYRIMIDINONE COMPOUNDS FOR MODULATING THE CATALYTIC ACTIVITY OF HISTONE LYSINE DEMETHYLASES (KDMS) DONG-A SOCIO HOLDINGS CO., LTD. (KR) 2016-05-06 WO disclosed
US-20160122343-A1 Novel Pyridopyrimidinone Compounds for Modulating the Catalytic Activity of Histone Lysine Demethylases (KDMs) DONG-A ST CO., LTD. (KR) 2016-05-05 US disclosed
US-7989446-B2 4-amino 5-cyanopyrimidine derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2011-08-02 US disclosed
US-20110009620-A1 4-Amino-5-cyanopyrimidine derivatives OTSUKA PHARMACEUTICAL CO., LTD. 2011-01-13 US disclosed
WO-2005105778-A2 4-AMINO-5-CYANOPYRIMIDINE DERIVATIVES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-11-10 WO disclosed
US-6706741-B2 ALZHEIMER*S DISEASE EISAI CO., LTD. (JP) 2004-03-16 US disclosed
EP-1183252-B1 PHARMACEUTICALLY ACTIVE COMPOUNDS ASTRAZENECA AB (SE) 2004-02-18 EP disclosed
US-20030069289-A1 Acetylcholinesterase inhibitors containing 1-benzyl-pyridinium salts EISAI R&D MANAGEMENT CO., LTD. (JP) 2003-04-10 US disclosed
EP-1285656-A1 ACETYLCHOLINESTERASE INHIBITORS CONTAINING 1-BENZYL- PYRIDINIUM SALTS Eisai Co., Ltd. (JP) 2003-02-26 EP disclosed
US-6492406-B1 PROTEIN KINASE C INHIBITORS; ANTIINFLAMMATORY AND IMMUNO-SUPPRESSIVE AGENTS ASTRAZENECA AB (SE) 2002-12-10 US disclosed
EP-1183252-A1 NEW PHARMACEUTICALLY ACTIVE COMPOUNDS AstraZeneca AB (SE) 2002-03-06 EP disclosed
WO-2000071537-A1 NEW PHARMACEUTICALLY ACTIVE COMPOUNDS ASTRAZENECA AB (SE) 2000-11-30 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 (3 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-20110009620-A1 4-Amino-5-cyanopyrimidine derivatives ADORA2A, ADORA1, ADORA3 TSHR 1015/4885HPGD 781/4885SIGMAR1 1884/4885
US-20030069289-A1 Acetylcholinesterase inhibitors containing 1-benzyl-pyridinium salts ACHE, CHRM1, BCHE TSHR 248/4885HPGD 2483/4885SIGMAR1 221/4885
US-20160122343-A1 Novel Pyridopyrimidinone Compounds for Modulating the Catalytic Activity of Histone Lysine Demethylases (KDMs) KDM1B, KDM1A, KDM3B TSHR 4435/4885HPGD 1492/4885SIGMAR1 4258/4885

“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.