SCHEMBL438987

SCHEMBL438987

O=C(Nc1ccc(-c2cc(-c3nccs3)ccc2Cl)cn1)c1c(F)cccc1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.45
IL2 P60568 4/20 0.45
TYK2 P29597 2/20 0.44
JAK2 O60674 1/20 0.44
JAK1 P23458 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
NPC1 O15118 1/20 0.42
ALDH1A1 P00352 1/20 0.42
PKM P14618 1/20 0.42
TSHR P16473 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ABL1 P00519 1/20 0.42
RORC P51449 2/20 0.41
P2RX7 Q99572 1/20 0.41
VCP P55072 1/20 0.40
DEGS1 O15121 1/20 0.40
STIM1 Q13586 1/20 0.40
ORAI1 Q96D31 1/20 0.40
ORAI2 Q96SN7 1/20 0.40

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
SCHEMBL2813073 0.96 IL2 (0.47) L3MBTL1IL2NPC1ALDH1A1PKM
SCHEMBL438956 0.92 STIM1 (0.50) L3MBTL1IL2RXFP1NPC1ALDH1A1
SCHEMBL449981 0.90 IL2 (0.46) IL2TYK2NPC1ALDH1A1PKM
SCHEMBL437873 0.87 SMN1; SMN2 (0.55) RXFP1NPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL2817899 0.84 IL2 (0.61) IL2ABL1
SCHEMBL4767857 0.84 IL2 (0.61) IL2TYK2JAK2JAK1RAB9A
SCHEMBL437850 0.83 NPC1 (0.43) IL2NPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL3813349 0.81 IL2 (0.54) IL2TYK2JAK2JAK1NPC1
SCHEMBL2311150 0.80 IL2 (0.43) IL2NPC1ALDH1A1PKMTSHR
SCHEMBL2813597 0.80 IL2 (0.48) IL2TYK2JAK2JAK1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120064121-A1 PYRIDINE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (MA) 2012-03-15 US claimed
EP-2182808-A1 PYRIDINE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES Synta Pharmaceuticals Corporation (US) 2010-05-12 EP claimed
WO-2009017819-A1 PYRIDINE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2009-02-05 WO claimed
US-20170183374-A1 Methods of Constructing and Screening Libraries of Peptide Structures PHYLOGICA LIMITED (AU) 2017-06-29 US disclosed
US-9567373-B2 Methods of constructing and screening libraries of peptide structures PHYLOGICA LIMITED (AU) 2017-02-14 US disclosed
EP-1987178-B1 METHOD OF CONSTRUCTING AND SCREENING LIBRARIES OF PEPTIDE STRUCTURES PHYLOGICA LTD (AU) 2015-03-25 EP disclosed
US-8802634-B2 CD40-L Inhibitory Peptides PHYLOGICA LIMITED (AU) 2014-08-12 US disclosed
US-20140128268-A1 Methods of Constructing and Screening Libraries of Peptide Structures PHYLOGICA LIMITED (AU) 2014-05-08 US disclosed
US-8575070-B2 Methods of constructing and screening libraries of peptide structures PHYLOGICA LIMITED (AU) 2013-11-05 US disclosed
US-20130266605-A1 PEPTIDE INHIBITORS OF CD40L SIGNALING AND USES THEREFOR PHYLOGICA LIMITED (AU) 2013-10-10 US disclosed
EP-2616480-A1 PEPTIDE INHIBITORS OF CD40L SIGNALING AND USES THEREFOR Phylogica Limited (AU) 2013-07-24 EP disclosed
US-20120065134-A1 CD40-L INHIBITORY PHYLOMER PEPTIDES PHYLOGICA LIMITED (AU) 2012-03-15 US disclosed
US-20120064121-A1 PYRIDINE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (MA) 2012-03-15 US disclosed
US-20120064121-A1 PYRIDINE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (MA) 2012-03-15 US disclosed
EP-2310405-A1 PEPTIDE INHIBITORS OF CD40L SIGNALING AND USES THEREFOR Phylogica Limited (AU) 2011-04-20 EP disclosed
EP-2182808-A1 PYRIDINE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES Synta Pharmaceuticals Corporation (US) 2010-05-12 EP disclosed
WO-2010003193-A1 PEPTIDE INHIBITORS OF CD40L SIGNALING AND USES THEREFOR PHYLOGICA LIMITED (AU) 2010-01-14 WO disclosed
WO-2009017819-A1 PYRIDINE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2009-02-05 WO disclosed
WO-2009017819-A1 PYRIDINE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2009-02-05 WO disclosed
US-20080081768-A1 Methods of constructing and screening libraries of peptide structures PHYLOGICA LIMITED (AU) 2008-04-03 US 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 (1 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-20120064121-A1 PYRIDINE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES IL5, CXCR3, TSLP L3MBTL1 4278/4885IL2 24/4885TYK2 301/4885

“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.