SCHEMBL2318636

SCHEMBL2318636

N#CSc1cc(C#N)ccc1N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.44
USP8 P40818 1/20 0.44
USP5 P45974 1/20 0.44
USP4 Q13107 1/20 0.44
USP7 Q93009 1/20 0.44
ALDH1A1 P00352 3/20 0.40
POLB P06746 2/20 0.40
MAPT P10636 1/20 0.40
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
DRD2 P14416 2/20 0.34
DRD3 P35462 2/20 0.34
PNMT P11086 1/20 0.34

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
SCHEMBL7274539 0.80 KMT2A (0.41) ALDH1A1POLBKDM4EGAASLC6A2
SCHEMBL11373902 0.79 USP2 (0.47) USP2USP8USP5USP4USP7
SCHEMBL8131924 0.76 NPC1 (0.53) USP2USP8USP5USP4USP7
SCHEMBL11173991 0.75 USP2 (0.56) USP2USP8USP5USP4USP7
SCHEMBL98131 0.74 TTR (0.48) ALDH1A1KDM4EGAADRD2DRD3
SCHEMBL7760561 0.73 IMPDH2 (0.37) USP2USP8USP5USP4USP7
SCHEMBL10412909 0.73 USP2 (0.60) USP2USP8USP5USP4USP7
SCHEMBL352155 0.73 ALDH1A1 (0.50) ALDH1A1KDM4EGAASLC6A2SLC6A4
SCHEMBL29443092 0.73 ALDH1A1 (0.50) ALDH1A1KDM4EGAASLC6A2SLC6A4
SCHEMBL11277214 0.73 ALDH1A1 (0.50) ALDH1A1KDM4EGAASLC6A2SLC6A4

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109419802-B Compounds having dopamine D3 receptor modulating activity and uses thereof 中国人民解放军军事医学科学院毒物药物研究所(CN) 2023-01-13 CN disclosed
EP-2354136-B1 NOVEL DOPAMINE D3 RECEPTOR LIGANDS AND PREPARATION AND MEDICAL USES OF THE SAME INST PHARM & TOXICOLOGY AMMS (CN) 2016-02-24 EP disclosed
US-9227944-B2 Dopamine D3 receptor ligands and preparation and medical uses of the same INSTITUTE OF PHARMACOLOGY AND TOXICOLOGY ACADEMY OF MILITARY SCIENCE P.L.A. CHINA (CN) 2016-01-05 US disclosed
US-20140329831-A1 NOVEL DOPAMINE D3 RECEPTOR LIGANDS AND PREPARATION AND MEDICAL USES OF THE SAME INSTITUTE OF PHARMACOLOGY AND TOXICOLOGY ACADEMY OF MILITARY MEDICAL SCIENCE P.L.A. CHINA (CN) 2014-11-06 US disclosed
US-8829001-B2 Dopamine D3 receptor ligands and preparation and medical uses of the same The Institute of Pharmacology and Toxicology Academy of Military Medical Science P.L.A. China (CN) 2014-09-09 US disclosed
US-20110319423-A1 NOVEL DOPAMINE D3 RECEPTOR LIGANDS AND PREPARATION AND MEDICAL USES OF THE SAME Institute of Pharmacology and Toxicology Academy of Military Medical Science, P.L.A (CN) 2011-12-29 US disclosed
CN-102264733-A novel dopamine D3 receptor ligand, preparation method and medical application thereof 2011-11-30 CN disclosed
EP-2354136-A1 NOVEL DOPAMINE D3 RECEPTOR LIGANDS, THE PREPARATION AND USE THEREOF Institute Of Pharmacology And Toxicology Academy Of Military Medical Sciences P.L.A. China (CN) 2011-08-10 EP 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 (2 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-20110319423-A1 NOVEL DOPAMINE D3 RECEPTOR LIGANDS AND PREPARATION AND MEDICAL USES OF THE SAME DRD3, DRD2, SLC6A3 USP2 2907/4885USP8 3323/4885USP5 2349/4885
US-20140329831-A1 NOVEL DOPAMINE D3 RECEPTOR LIGANDS AND PREPARATION AND MEDICAL USES OF THE SAME DRD3, DRD2, SLC6A3 USP2 2907/4885USP8 3323/4885USP5 2349/4885

“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.