SCHEMBL5486145

SCHEMBL5486145

CC(C)(C)c1csc(Nc2ccccc2)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR4 P51679 11/20 1.00
KMT2A Q03164 6/20 0.64
RAB9A P51151 5/20 0.64
NPC1 O15118 4/20 0.64
SMN1; SMN2 Q16637 4/20 0.64
MEN1 O00255 4/20 0.64
ALDH1A1 P00352 1/20 0.64
POLB P06746 1/20 0.64
MAPK1 P28482 1/20 0.64
GAA P10253 1/20 0.62
CSNK2A1 P68400 1/20 0.57
PLK3 Q9H4B4 1/20 0.57
TP53 P04637 1/20 0.53
HSD17B10 Q99714 1/20 0.53
NR1I2 O75469 1/20 0.50
MAPT P10636 1/20 0.50
NFKB1 P19838 1/20 0.50
PPP1CA P62136 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50

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
SCHEMBL21708025 0.86 CCR4 (0.76) CCR4KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL28291947 0.85 CCR4 (0.73) CCR4KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL21708018 0.84 CCR4 (1.00) CCR4KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL21708002 0.83 CCR4 (0.71) CCR4KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL28297353 0.81 CCR4 (0.68) CCR4KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL4561810 0.81 CCR4 (0.68) CCR4KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL29274287 0.80 CCR4 (0.67) CCR4KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL21708019 0.79 CCR4 (1.00) CCR4KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL10078887 0.79 MEN1 (1.00) CCR4KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL12603585 0.79 CCR4 (0.64) CCR4KMT2ARAB9ANPC1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200062719-A1 Application of Imidazopyridine Derivatives in Regenerative Medicine UNIVERSITY OF HEIDELBERG (DE) 2020-02-27 US disclosed
US-20200062719-A1 Application of Imidazopyridine Derivatives in Regenerative Medicine UNIVERSITY OF HEIDELBERG (DE) 2020-02-27 US disclosed
EP-3611256-A1 APPLICATION OF IMIDAZOPYRIDINE DERIVATIVES IN REGENERATIVE MEDICINE Universität Heidelberg (DE) 2020-02-19 EP disclosed
EP-3611256-A1 APPLICATION OF IMIDAZOPYRIDINE DERIVATIVES IN REGENERATIVE MEDICINE Universität Heidelberg (DE) 2020-02-19 EP disclosed
US-20160318856-A1 Substituted Urea eIF2alpha Kinase Activators NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-11-03 US disclosed
US-20110117337-A1 Magenta Dyes and Inks for Use in Ink-Jet Printing FUJIFILM IMAGING COLORANTS LIMITED (GB) 2011-05-19 US disclosed
US-20110117337-A1 Magenta Dyes and Inks for Use in Ink-Jet Printing FUJIFILM IMAGING COLORANTS LIMITED (GB) 2011-05-19 US disclosed
WO-2010004312-A1 MAGENTA DYES AND INKS FOR USE IN INK-JET PRINTING FUJIFILM IMAGING COLORANTS LIMITED (GB) 2010-01-14 WO disclosed
US-7262204-B2 Modulation of CCR4 function AMGEN INC. (US) 2007-08-28 US disclosed
US-7144903-B2 CCR4 antagonists AMGEN INC. (US) 2006-12-05 US disclosed
EP-1578341-A2 MODULATION OF CCR4 FUNCTION Tularik Inc. (US) 2005-09-28 EP disclosed
EP-1578341-A4 MODULATION OF CCR4 FUNCTION TULARIK INC (US) 2005-09-28 EP disclosed
US-20040039035-A1 Modulation of CCR4 function TULARIK INC. 2004-02-26 US disclosed
US-20030018022-A1 Ccr4 antagonists TULARIK INC. 2003-01-23 US disclosed
WO-2002094264-A1 CCR4 ANTAGONISTS TULARIK INC. (US) 2002-11-28 WO disclosed
US-20020173524-A1 Modulation of CCR4 function TULARIK INC. (US) 2002-11-21 US disclosed
WO-2002030358-A2 MODULATION OF CCR4 FUNCTION TULARIK INC. (US) 2002-04-18 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-20030018022-A1 Ccr4 antagonists CCR4, CCR1, CCR3 CCR4 1/4885KMT2A 4260/4885RAB9A 3982/4885
US-20020173524-A1 Modulation of CCR4 function CCR4, CCR1, CCR3 CCR4 1/4885KMT2A 4488/4885RAB9A 3386/4885
US-20160318856-A1 Substituted Urea eIF2alpha Kinase Activators EIF2AK1, EIF2A, EIF4A2 CCR4 4642/4885KMT2A 635/4885RAB9A 1341/4885
US-20040039035-A1 Modulation of CCR4 function CCR4, CCR1, CCR3 CCR4 1/4885KMT2A 4488/4885RAB9A 3386/4885
US-20200062719-A1 Application of Imidazopyridine Derivatives in Regenerative Medicine DOT1L, NSD1, KDM3A CCR4 3403/4885KMT2A 55/4885RAB9A 3350/4885

“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.