SCHEMBL2546911

SCHEMBL2546911

COc1ccc(/C=C2/SC(=O)NC2=O)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 9/20 1.00
PIM2 Q9P1W9 8/20 1.00
AKR1B1 P15121 3/20 1.00
NPC1 O15118 1/20 1.00
RAB9A P51151 1/20 1.00
CSNK2A2 P19784 2/20 0.77
CLK1 P49759 2/20 0.77
CSNK2B P67870 2/20 0.77
CSNK2A1 P68400 2/20 0.77
DYRK1A Q13627 2/20 0.77
DYRK1B Q9Y463 2/20 0.77
POLB P06746 1/20 0.77
HPGD P15428 3/20 0.76
DYRK2 Q92630 1/20 0.69
PIM3 Q86V86 2/20 0.68
PDE4B Q07343 1/20 0.68
GSK3B P49841 1/20 0.65
MEN1 O00255 1/20 0.64
KMT2A Q03164 1/20 0.64
ALOX5 P09917 1/20 0.63

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
SCHEMBL1247708 1.00 PIM1 (1.00) PIM1PIM2AKR1B1NPC1RAB9A
SCHEMBL1247705 1.00 PIM1 (1.00) PIM1PIM2AKR1B1NPC1RAB9A
SCHEMBL5509146 0.95 PIM1 (0.91) PIM1PIM2AKR1B1NPC1RAB9A
SCHEMBL5509142 0.95 PIM1 (0.91) PIM1PIM2AKR1B1NPC1RAB9A
SCHEMBL8272567 0.95 PIM1 (0.91) PIM1PIM2AKR1B1NPC1RAB9A
SCHEMBL1248947 0.88 PIM1 (0.78) PIM1PIM2AKR1B1NPC1RAB9A
SCHEMBL1248944 0.88 PIM1 (0.78) PIM1PIM2AKR1B1NPC1RAB9A
SCHEMBL1300546 0.87 HPGD (1.00) PIM1PIM2AKR1B1NPC1RAB9A
SCHEMBL1300545 0.87 HPGD (1.00) PIM1PIM2AKR1B1NPC1RAB9A
SCHEMBL15421331 0.87 CSNK2A2 (1.00) PIM1PIM2AKR1B1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200068890-A1 HETEROCYCLIC INHIBITORS OF LYSINE BIOSYNTHESIS VIA THE DIAMINOPIMELATE PATHWAY LA TROBE UNIVERSITY (AU) 2020-03-05 US disclosed
US-9896421-B2 Compound having skin-whitening, anti-oxidizing and PPAR activities and medical use thereof PUSAN NATIONAL UNIVERSITY INDUSTRY-UNIVERSITY COOPERATION FOUNDATION (KR) 2018-02-20 US disclosed
US-20160102065-A1 NOVEL COMPOUND HAVING SKIN-WHITENING, ANTI-OXIDIZING AND PPAR ACTIVITIES AND MEDICAL USE THEREOF PUSAN NATIONAL UNIVERSITY INDUSTRY-UNIVERSITY COOPERATION FOUNDATION (KR) 2016-04-14 US disclosed
US-9216148-B2 Compound having skin-whitening, anti-oxidizing and PPAR activities and medical use therefor PUSAN NATIONAL UNIVERSITY INDUSTRY-UNIVERSITY COOPERATION FOUNDATION (KR) 2015-12-22 US disclosed
US-20140023603-A1 NOVEL COMPOUND HAVING SKIN-WHITENING, ANTI-OXIDIZING AND PPAR ACTIVITIES AND MEDICAL USE THEREFOR PUSAN NATIONAL UNIVERSITY INDUSTRY-UNIVERSITY COOPERATION FOUNDATION (KR) 2014-01-23 US disclosed
US-20110263664-A1 Inhibitors of PIM-1 Protein Kinases, Compositions and Methods for Treating Prostate Cancer MUSC FOUNDATION FOR RESEARCH DEVELOPMENT (US) 2011-10-27 US disclosed
WO-2011075935-A1 DIPHENYLETHENE DERIVATIVES AND USES THEREOF 深圳海王药业有限公司 (CN) 2011-06-30 WO disclosed
EP-2217235-A2 INHIBITORS OF PIM PROTEIN KINASES, COMPOSITIONS, AND METHODS FOR TREATING CANCER Musc Foundation for Research Development (US) 2010-08-18 EP disclosed
WO-2009064486-A9 INHIBITORS OF PIM PROTEIN KINASES, COMPOSITIONS, AND METHODS FOR TREATING CANCER MUSC FOUND FOR RES DEV (US) 2009-07-16 WO disclosed
WO-2009064486-A2 INHIBITORS OF PIM PROTEIN KINASES, COMPOSITIONS, AND METHODS FOR TREATING CANCER MUSC FOUNDATION FOR RESEARCH DEVELOPMENT (US) 2009-05-22 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-20200068890-A1 HETEROCYCLIC INHIBITORS OF LYSINE BIOSYNTHESIS VIA THE DIAMINOPIMELATE PATHWAY DDC, ODC1, DDT PIM1 899/4885PIM2 1233/4885AKR1B1 225/4885
US-20110263664-A1 Inhibitors of PIM-1 Protein Kinases, Compositions and Methods for Treating Prostate Cancer PIM1, PIM2, PIM3 PIM1 1/4885PIM2 2/4885AKR1B1 3892/4885
US-20140023603-A1 NOVEL COMPOUND HAVING SKIN-WHITENING, ANTI-OXIDIZING AND PPAR ACTIVITIES AND MEDICAL USE THEREFOR PPARG, PPARA, PPARD PIM1 3515/4885PIM2 4393/4885AKR1B1 958/4885
US-20160102065-A1 NOVEL COMPOUND HAVING SKIN-WHITENING, ANTI-OXIDIZING AND PPAR ACTIVITIES AND MEDICAL USE THEREOF PPARG, PPARA, TYR PIM1 3858/4885PIM2 4285/4885AKR1B1 1583/4885

“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.