SCHEMBL616687

SCHEMBL616687

CNc1ccc2ncsc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 2/20 0.51
LRRK2 Q5S007 1/20 0.48
NPC1 O15118 8/20 0.47
RAB9A P51151 8/20 0.47
KDM4E B2RXH2 2/20 0.47
HKDC1 Q2TB90 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
KMT2A Q03164 6/20 0.47
MEN1 O00255 5/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
ALDH1A1 P00352 2/20 0.46
PKM P14618 1/20 0.46
SYK P43405 1/20 0.46
HSD17B10 Q99714 1/20 0.45
DYRK1A Q13627 1/20 0.45
GFER P55789 1/20 0.44
LMNA P02545 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44

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
SCHEMBL13006762 0.85 ALDH1A1 (0.50) SMN1; SMN2ALDH1A1HSD17B10NPSR1EGFR
SCHEMBL30534181 0.85 ALDH1A1 (0.50) SMN1; SMN2ALDH1A1HSD17B10NPSR1EGFR
Nitrobenzene SCHEMBL28086790 0.82 ALDH1A1 (0.46) IRAK4NPC1RAB9AKDM4EHKDC1
SCHEMBL20311432 0.81 SYK (0.49) IRAK4LRRK2NPC1RAB9AKDM4E
SCHEMBL5564384 0.81 DYRK1A (0.49) IRAK4LRRK2NPC1RAB9AKDM4E
SCHEMBL20195813 0.81 NPC1 (0.47) IRAK4LRRK2NPC1RAB9AKDM4E
Guaiacol SCHEMBL27970962 0.81 NPC1 (0.46) IRAK4NPC1RAB9AKDM4EL3MBTL1
SCHEMBL15671090 0.80 NPC1 (0.53) IRAK4LRRK2NPC1RAB9AKDM4E
SCHEMBL12233413 0.80 TOP2A (0.54) IRAK4LRRK2NPC1RAB9AKDM4E
SCHEMBL12890444 0.80 IRAK4 (0.53) IRAK4LRRK2SYKRIPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240024305-A1 METHODS AND COMPOSITIONS FOR TREATING RETINA-ASSOCIATED DISEASE USING CCR3-INHIBITORS ALKAHEST, INC. 2024-01-25 US disclosed
US-20230357170-A1 CFTR REGULATORS AND METHODS OF USE THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2023-11-09 US disclosed
US-20230357170-A1 CFTR REGULATORS AND METHODS OF USE THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2023-11-09 US disclosed
US-20230346764-A1 Methods and Compositions for Treating Pruritus, Xerosis, and Associated Disease Using CCR3-Inhibitors ALKAHEST, INC. 2023-11-02 US disclosed
EP-4245295-A2 COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FOR USE IN TREATING RETINA-ASSOCIATED DISEASE USING CCR3-INHIBITORS Alkahest, Inc. (US) 2023-09-20 EP disclosed
WO-2023163033-A1 NOVEL COMPOUND, α-SYNUCLEIN AGGREGATE BINDER, AND USE THEREOF 国立研究開発法人量子科学技術研究開発機構 2023-08-31 WO disclosed
US-20230242535-A1 IMIDAZOTHIADIAZOLE AND IMIDAZOPYRAZINE DERIVATIVES AS PROTEASE ACTIVATED RECEPTOR 4 (PAR4) INHIBITORS FOR TREATING PLATELET AGGREGATION BRISTOL MYERS SQUIBB CO (US) 2023-08-03 US disclosed
US-20230242535-A1 IMIDAZOTHIADIAZOLE AND IMIDAZOPYRAZINE DERIVATIVES AS PROTEASE ACTIVATED RECEPTOR 4 (PAR4) INHIBITORS FOR TREATING PLATELET AGGREGATION BRISTOL MYERS SQUIBB CO (US) 2023-08-03 US disclosed
US-20230025301-A1 Novel Heterocyclic Derivatives with Cardiomyocyte Proliferation Activity for Treatment of Heart Diseases TONGJI UNIVERSITY (CN) 2023-01-26 US disclosed
EP-4026829-A1 PROCESS FOR PREPARING N-[[5-(3-CHLOROPHENYL)-3-HYDROXY-2-PYRIDINYL]CARBONYL]-GLYCINE FROM 5-(3-CHLOROPHENYL)-3-HYDROXY-2-PYRIDINE CARBOXYLIC ACID Akebia Therapeutics Inc. (US) 2022-07-13 EP disclosed
WO-2007118602-A1 COMPOUNDS FOR TREATING PULMONARY HYPERTENSION BAYER HEALTHCARE AG (DE) 2007-10-25 WO disclosed
US-20070142373-A1 Quinoline derivatives as phosphodiesterase inhibitors GLAXO GROUP LIMITED (GB) 2007-06-21 US disclosed
US-20070142373-A1 Quinoline derivatives as phosphodiesterase inhibitors GLAXO GROUP LIMITED (GB) 2007-06-21 US disclosed
WO-2007028445-A1 6-INDOLYL-4-YL-AMINO-5-HALOGENO-2-PYRIMIDINYL-AMINO DERIVATIVES GLAXO GROUP LIMITED (GB) 2007-03-15 WO disclosed
US-20070049570-A1 Quinoline derivatives as phosphodiesterase inhibitors DEAN ANTHONY W 2007-03-01 US disclosed
US-20070049570-A1 Quinoline derivatives as phosphodiesterase inhibitors DEAN ANTHONY W 2007-03-01 US disclosed
WO-2004103998-A1 QUINOLINE DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS GLAXO GROUP LIMITED (GB) 2004-12-02 WO disclosed
EP-0700396-A1 PIPERIDINE DERIVATIVES, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1996-03-13 EP disclosed
US-5478845-A Inhibit dopamine or 5-hydroxytryptamine receptor binding NOVO NORDISK A/S (DK) 1995-12-26 US disclosed
WO-1994027994-A1 PIPERIDINE DERIVATIVES, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1994-12-08 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 (7 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-20230025301-A1 Novel Heterocyclic Derivatives with Cardiomyocyte Proliferation Activity for Treatment of Heart Diseases TNNI3, TNNT2, MKI67 IRAK4 4471/4885LRRK2 4477/4885NPC1 2687/4885
US-20230242535-A1 IMIDAZOTHIADIAZOLE AND IMIDAZOPYRAZINE DERIVATIVES AS PROTEASE ACTIVATED RECEPTOR 4 (PAR4) INHIBITORS FOR TREATING PLATELET AGGREGATION F2RL3, F2R, TMPRSS4 IRAK4 132/4885LRRK2 1236/4885NPC1 4167/4885
US-20230357170-A1 CFTR REGULATORS AND METHODS OF USE THEREOF CFTR, SLC26A4, CLCN2 IRAK4 2068/4885LRRK2 3132/4885NPC1 579/4885
US-20230346764-A1 Methods and Compositions for Treating Pruritus, Xerosis, and Associated Disease Using CCR3-Inhibitors CCR3, CCR1, CCR4 IRAK4 1034/4885LRRK2 3013/4885NPC1 1141/4885
US-20240024305-A1 METHODS AND COMPOSITIONS FOR TREATING RETINA-ASSOCIATED DISEASE USING CCR3-INHIBITORS CCR3, CCR1, CCR4 IRAK4 213/4885LRRK2 3100/4885NPC1 832/4885
US-20070049570-A1 Quinoline derivatives as phosphodiesterase inhibitors PDE3B, PDE4B, PDE4A IRAK4 793/4885LRRK2 2231/4885NPC1 4158/4885
US-20070142373-A1 Quinoline derivatives as phosphodiesterase inhibitors PDE3B, PDE4B, PDE4A IRAK4 793/4885LRRK2 2231/4885NPC1 4158/4885

“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.