SCHEMBL7180800

SCHEMBL7180800

CC(C)c1nc(CS)cs1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 1/20 0.46
DRD2 P14416 1/20 0.41
HTR2A P28223 1/20 0.41
HRH1 P35367 1/20 0.41
ADORA2A P29274 1/20 0.34
ALDH1A1 P00352 1/20 0.33
TLR7 Q9NYK1 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
NMT1 P30419 1/20 0.32
PIK3CD O00329 1/20 0.32
PIK3CA P42336 1/20 0.32
PIK3CB P42338 1/20 0.32
PIK3CG P48736 1/20 0.32
SCN9A Q15858 1/20 0.31
NPC1 O15118 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
SCHEMBL2819185 0.81 SLC6A3 (0.47) SLC6A3DRD2HTR2AHRH1ADORA2A
SCHEMBL210964 0.79 SLC6A3 (0.46) SLC6A3DRD2HTR2AHRH1ADORA2A
SCHEMBL2439238 0.79 SLC6A3 (0.46) SLC6A3DRD2HTR2AHRH1ADORA2A
SCHEMBL16603147 0.79 SLC6A3 (0.46) SLC6A3DRD2HTR2AHRH1ADORA2A
SCHEMBL129911 0.79 SLC6A3 (0.46) SLC6A3DRD2HTR2AHRH1ADORA2A
SCHEMBL348008 0.79 SLC6A3 (0.46) SLC6A3DRD2HTR2AHRH1ADORA2A
SCHEMBL10163704 0.79 SLC6A3 (0.46) SLC6A3DRD2HTR2AHRH1ADORA2A
SCHEMBL7226659 0.79 SLC6A3 (0.50) SLC6A3DRD2HTR2AHRH1ADORA2A
SCHEMBL14638829 0.78 SLC6A3 (0.45) SLC6A3DRD2HTR2AHRH1ADORA2A
Hydrochloric Acid SCHEMBL457519 0.78 SLC6A3 (0.45) SLC6A3DRD2HTR2AHRH1ADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200277285-A1 INHIBITORS OF JUN N-TERMINAL KINASE IMAGO PHARMACEUTICALS, INC. (US) 2020-09-03 US disclosed
US-20180037577-A1 INHIBITORS OF JUN N-TERMINAL KINASE IMAGO PHARMACEUTICALS, INC. (US) 2018-02-08 US disclosed
WO-2015002150-A1 NOVEL COMPOUND, ORGANIC CATION TRANSPORTER 3 DETECTION AGENT, AND ORGANIC CATION TRANSPORTER 3 ACTIVITY INHIBITOR 株式会社新日本科学 (JP) 2015-01-08 WO disclosed
US-6667404-B2 Carbamylation of 1-amino group of 1,4-amino-3-hydroxybutane derivative with an organocarbonate containing thiazolyl, oxazolyl, isoxazolyl or isothiazolyl substituent ABBOTT LABORATORIES 2003-12-23 US disclosed
US-20030195362-A1 Retroviral protease inhibiting compounds KEMPF DALE J (US) 2003-10-16 US disclosed
EP-1302468-A1 Processes and intermediates for manufacturing retroviral protease inhibiting compounds ABBOTT LABORATORIES (US) 2003-04-16 EP disclosed
US-6531610-B1 Intermediate acylating carbonate ABBOTT LABORATORIES 2003-03-11 US disclosed
US-20010008892-A1 Retroviral protease inhibiting compounds CHEN XIAOQI (US) 2001-07-19 US disclosed
US-6251906-B1 Retroviral protease inhibiting compounds ABBOTT LABORATORIES 2001-06-26 US disclosed
EP-1090914-A2 Processes and intermediates for manufacturing retroviral protease inhibiting compounds ABBOTT LABORATORIES (US) 2001-04-11 EP disclosed
US-5583232-A TREATING HUMAN IMMUNODEFICIENCY VIRUS INFECTIONS ABBOTT LABORATORIES (US) 1996-12-10 US disclosed
US-5583233-A TREATING HUMAN IMMUNODEFICIENCY VIRUS INFECTIONS ABBOTT LABORATORIES (US) 1996-12-10 US disclosed
US-5580984-A 1-OXA-3-AZA-2-BORINE INTERMEDIATES ABBOTT LABORATORIES (US) 1996-12-03 US disclosed
US-5565418-A PREPARING CARBAMATE INTERMEDIATES BY REACTING SUBSTITUTED HYDROXYDIAMINE COMPOUND WITH ONE AMINE PROTECTED WITH ACTIVATED ACYLATING AGENT, DEPROTECTING ABBOTT LABORATORIES (US) 1996-10-15 US disclosed
EP-0674513-B1 RETROVIRAL PROTEASE INHIBITING COMPOUNDS ABBOTT LAB (US) 1996-09-25 EP disclosed
US-5552558-A Retroviral protease inhibiting compounds ABBOTT LABORATORIES (US) 1996-09-03 US disclosed
EP-0727419-A2 Retroviral protease inhibiting compounds Abbott Laboratories (US) 1996-08-21 EP disclosed
US-5541206-A TREATING HUMAN IMMUNODEFICIENCY VIRUS INFECTION ABBOTT LABORATORIES (US) 1996-07-30 US disclosed
US-5539122-A Retroviral protease inhibiting compounds ABBOTT LABORATORIES (US) 1996-07-23 US disclosed
WO-1994014436-A1 RETROVIRAL PROTEASE INHIBITING COMPOUNDS ABBOTT LABORATORIES (US) 1994-07-07 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 (4 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-20180037577-A1 INHIBITORS OF JUN N-TERMINAL KINASE CHUK, MAPK6, MAPK3 SLC6A3 2779/4885DRD2 3934/4885HTR2A 2220/4885
US-20030195362-A1 Retroviral protease inhibiting compounds PREP, SERPINB1, PRSS1 SLC6A3 4470/4885DRD2 4756/4885HTR2A 4828/4885
US-20200277285-A1 INHIBITORS OF JUN N-TERMINAL KINASE CHUK, MAPK6, MAPK3 SLC6A3 2779/4885DRD2 3934/4885HTR2A 2220/4885
US-20010008892-A1 Retroviral protease inhibiting compounds PREP, DNPEP, SERPINB1 SLC6A3 4402/4885DRD2 4632/4885HTR2A 4796/4885

“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.