SCHEMBL3283375

SCHEMBL3283375

Cc1ccnc(SCC(N)=O)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 1.00
ALOX15 P16050 1/20 0.73
NPC1 O15118 3/20 0.58
RAB9A P51151 3/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
POLB P06746 2/20 0.56
ALDH1A1 P00352 7/20 0.56
MAPT P10636 2/20 0.56
MEN1 O00255 2/20 0.51
ATM Q13315 1/20 0.50
PKM P14618 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49

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
SCHEMBL759274 0.85 ALOX15 (1.00) KMT2AALOX15NPC1RAB9ASMN1; SMN2
SCHEMBL14444179 0.85 ALOX15 (0.76) KMT2AALOX15NPC1RAB9ASMN1; SMN2
SCHEMBL2855549 0.79 ALDH1A1 (0.76) KMT2APOLBALDH1A1MAPTMEN1
SCHEMBL21241310 0.78 ALOX15 (0.66) KMT2AALOX15NPC1RAB9ASMN1; SMN2
SCHEMBL6085370 0.77 KMT2A (0.61) KMT2AALOX15NPC1RAB9ASMN1; SMN2
SCHEMBL15390391 0.76 KMT2A (0.61) KMT2AALOX15SMN1; SMN2ALDH1A1MEN1
SCHEMBL1327770 0.76 KMT2A (0.61) KMT2ASMN1; SMN2POLBALDH1A1PKM
SCHEMBL8363955 0.74 ALOX15 (0.66) KMT2AALOX15NPC1RAB9ASMN1; SMN2
SCHEMBL14444214 0.74 KMT2A (0.58) KMT2AALOX15NPC1RAB9ASMN1; SMN2
SCHEMBL4681250 0.74 ALOX15 (0.60) KMT2AALOX15NPC1RAB9ASMN1; 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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7709500-B2 Chemical compounds ASTRAZENECA AB (SE) 2010-05-04 US disclosed
US-20080090863-A1 Pyridine Derivatives and Their Use as Medicaments for Treating Diseases Related to Mch Receptor TAISHO PHARMACEUTICAL CO., LTD. (JP) 2008-04-17 US disclosed
EP-1363925-B8 MACROLIDE ANTIBIOTICS GLAXO GROUP LTD (GB) 2007-04-25 EP disclosed
EP-1363925-B1 MACROLIDE ANTIBIOTICS GLAXO GROUP LTD (GB) 2006-11-15 EP disclosed
US-20060211636-A1 Macrolide Antibiotics ALIHODZIC SULEJMAN 2006-09-21 US disclosed
US-20050215495-A1 Macrolide antibiotics ALIHODZIC SULEJMAN 2005-09-29 US disclosed
US-20050197350-A1 Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof TAISHO PHARMACEUTICAL CO., LTD. 2005-09-08 US disclosed
US-20050107428-A1 Chemical compounds ASTRAZENECA AB (SE) 2005-05-19 US disclosed
EP-1478624-A1 CHEMICAL COMPOUNDS AstraZeneca AB (SE) 2004-11-24 EP disclosed
US-20040077557-A1 Macrolide antibiotics GLAXO GROUP LIMITED (GB) 2004-04-22 US disclosed
EP-1363925-A1 MACROLIDE ANTIBIOTICS GLAXO GROUP LIMITED (GB) 2003-11-26 EP disclosed
WO-2003068743-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2003-08-21 WO disclosed
WO-2002050091-A1 MACROLIDE ANTIBIOTICS GLAXO GROUP LIMITED (GB) 2002-06-27 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 (6 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-20050107428-A1 Chemical compounds CCR10, CCR3, CXCR5 KMT2A 2114/4885ALOX15 1159/4885NPC1 972/4885
US-20050215495-A1 Macrolide antibiotics IL1R1, MRPL12, RPS21 KMT2A 2302/4885ALOX15 2590/4885NPC1 122/4885
US-20080090863-A1 Pyridine Derivatives and Their Use as Medicaments for Treating Diseases Related to Mch Receptor MCHR1, GPR119, MCHR2 KMT2A 818/4885ALOX15 1567/4885NPC1 472/4885
US-20060211636-A1 Macrolide Antibiotics IL1R1, MRPL12, RPS21 KMT2A 2302/4885ALOX15 2590/4885NPC1 122/4885
US-20050197350-A1 Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof HCRTR2, MCHR1, MCHR2 KMT2A 693/4885ALOX15 2356/4885NPC1 778/4885
US-20040077557-A1 Macrolide antibiotics MALT1, MRPL21, IL1R1 KMT2A 2312/4885ALOX15 2244/4885NPC1 86/4885

“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.