SCHEMBL3213064

SCHEMBL3213064

[c]1ccccc1N1CCSCC1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.37
RAB9A P51151 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
LGMN Q99538 1/20 0.34
ALDH1A1 P00352 3/20 0.33
CYP2A13 Q16696 1/20 0.33
MAPT P10636 1/20 0.33
PRKDC P78527 3/20 0.33
GAA P10253 1/20 0.32
HIF1A Q16665 1/20 0.32
ACHE P22303 2/20 0.32
KDM1A O60341 1/20 0.31
CYP1A2 P05177 2/20 0.31
CYP2C9 P11712 2/20 0.31
CYP2C19 P33261 2/20 0.31
NPSR1 Q6W5P4 2/20 0.31
POLB P06746 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL8961761 0.85 MAPT (0.31) RAB9AMAPTGAASMN1; SMN2
SCHEMBL233233 0.81 HPGD (0.39) RAB9AL3MBTL1ALDH1A1MAPTGAA
SCHEMBL114701 0.81 MAPK1 (0.34) L3MBTL1ALDH1A1MAPTGAA
SCHEMBL159767 0.79 HPGD (0.42) L3MBTL1ALDH1A1MAPTGAASMN1; SMN2
SCHEMBL1852924 0.76 ADRA2C (0.44) ALDH1A1MAPTGAACYP1A2
SCHEMBL189494 0.76 LMNA (0.50) ARRAB9AALDH1A1MAPTGAA
SCHEMBL188699 0.76 ADRB1 (0.50) ALDH1A1MAPTCYP1A2CYP2C19
SCHEMBL5423827 0.74 KMT2A (0.50) ALDH1A1MAPTGAAACHENPSR1
SCHEMBL5655784 0.74 KCNA3 (0.38) RAB9AL3MBTL1ALDH1A1MAPTGAA
SCHEMBL5657586 0.73 KDM4E (0.39) ALDH1A1HIF1AACHECYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117460736-A Nucleoside derivatives having multi-target phosphorylase inhibitory activity and pharmaceutical compositions for preventing and treating cancer comprising the same 未来制药有限公司 2024-01-26 CN claimed
US-8404692-B2 Pyrimidin-4-yl-3, 4-dihydro-2H-pyrrolo [1,2A] pyrazin-1-one compounds CYCLACEL LIMITED (GB) 2013-03-26 US claimed
US-20100035870-A1 Pyrimidin-4-yl-3, 4-Dihydro-2H-Pyrrolo[1,2A] Pyrazin-1-one Compounds CYCLACEL LIMITED (GB) 2010-02-11 US claimed
US-20090170847-A1 Imidazopyridine Derivatives Inhibiting Protein Kinase Activity, Method for the Preparation Thereof and Pharmaceutical Composition Containing Same YUYU PHARMA, INC. (KR) 2009-07-02 US claimed
EP-1984370-A1 IMIDAZOPYRIDINE DERIVATIVES INHIBITING PROTEIN KINASE ACTIVITY, METHOD FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION CONTAINING SAME Crystalgenomics, Inc. (KR) 2008-10-29 EP claimed
EP-1940846-A2 PYRIMIDIN-4-YL-3,4-DIHYDRO-2H-PYRROLO[1,2A]PYRAZIN-1-ONE COMPOUNDS Cyclacel Limited (GB) 2008-07-09 EP claimed
WO-2007083978-A1 IMIDAZOPYRIDINE DERIVATIVES INHIBITING PROTEIN KINASE ACTIVITY, METHOD FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION CONTAINING SAME CRYSTALGENOMICS, INC. (KR) 2007-07-26 WO claimed
WO-2007042784-A2 PYRIMIDIN-4-YL-3, 4-DIHYDR0-2H- PYRROLO [1, 2A] PYRAZIN-1-ONE COMPOUNDS CYCLACEL LIMITED (GB) 2007-04-19 WO claimed
EP-3237407-A1 3,5-DIAMINOPYRAZOLE KINASE INHIBITORS Axikin Pharmaceuticals, Inc. (US) 2017-11-01 EP disclosed
WO-2016106309-A1 3,5-DIAMINOPYRAZOLE KINASE INHIBITORS AXIKIN PHARMACEUTICALS, INC. (US) 2016-06-30 WO disclosed
US-8404692-B2 Pyrimidin-4-yl-3, 4-dihydro-2H-pyrrolo [1,2A] pyrazin-1-one compounds CYCLACEL LIMITED (GB) 2013-03-26 US disclosed
US-20100035870-A1 Pyrimidin-4-yl-3, 4-Dihydro-2H-Pyrrolo[1,2A] Pyrazin-1-one Compounds CYCLACEL LIMITED (GB) 2010-02-11 US disclosed
US-20090170847-A1 Imidazopyridine Derivatives Inhibiting Protein Kinase Activity, Method for the Preparation Thereof and Pharmaceutical Composition Containing Same YUYU PHARMA, INC. (KR) 2009-07-02 US disclosed
US-20080200475-A1 4-Piperazinothieno[2,3-D] Pyrimidine Compounds As Platelet Aggregation Inhibitors PFIZER INC. 2008-08-21 US disclosed
WO-2006100591-A1 4-PIPERAZINNYLTHIENO [2,3-D] PYRIMIDINE COMPOUNDS AS PLATELET AGGREGATION INHIBITORS PHARMACIA & UPJOHN COMPANY LLC (US) 2006-09-28 WO disclosed
WO-2006079916-A1 THIENO [2,3-D] PYRIMIDINE COMPOUNDS AS INHIBITORS OF ADP-MEDIATED PLATELETS AGGREGATION PHARMACIA & UPJOHN COMPANY LLC (US) 2006-08-03 WO disclosed
US-6998414-B2 Substituted arylamides as IP antagonists ROCHE PALO ALTO LLC (US) 2006-02-14 US disclosed
US-20060004075-A1 Substituted aryl amides as IP antagonists ROCHE PALO ALTO LLC 2006-01-05 US disclosed
US-20040220247-A1 Substituted arylamides as IP antagonists ROCHE PALO ALTO LLC 2004-11-04 US disclosed
WO-2004026848-A1 OXAZOLIDINONE DERIVATIVES, PROCESS FOR THEIR PREPERATION AND THEIR USE AS ANTIMYCOBACTERIAL AGENTS LUPIN LIMITED (IN) 2004-04-01 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 (5 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-20060004075-A1 Substituted aryl amides as IP antagonists INSR, INSRR, GIPR AR 141/4885RAB9A 2168/4885L3MBTL1 3375/4885
US-20040220247-A1 Substituted arylamides as IP antagonists INSR, PTGER1, INSRR AR 227/4885RAB9A 2946/4885L3MBTL1 3337/4885
US-20100035870-A1 Pyrimidin-4-yl-3, 4-Dihydro-2H-Pyrrolo[1,2A] Pyrazin-1-one Compounds CYP2A13, NR1I3, NR3C2 AR 291/4885RAB9A 4087/4885L3MBTL1 4518/4885
US-20090170847-A1 Imidazopyridine Derivatives Inhibiting Protein Kinase Activity, Method for the Preparation Thereof and Pharmaceutical Composition Containing Same GSK3B, GSK3A, MAP3K3 AR 1581/4885RAB9A 2749/4885L3MBTL1 4617/4885
US-20080200475-A1 4-Piperazinothieno[2,3-D] Pyrimidine Compounds As Platelet Aggregation Inhibitors PF4, TBXA2R, P2RY4 AR 2597/4885RAB9A 2647/4885L3MBTL1 3994/4885

“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.