SCHEMBL5032081

SCHEMBL5032081

O=C(Nc1ccc(-c2csc(-c3cnco3)c2)cc1)c1c(F)cccc1F

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IL2 P60568 3/20 0.56
NPC1 O15118 7/20 0.51
RAB9A P51151 6/20 0.51
KDM4E B2RXH2 3/20 0.51
ALDH1A1 P00352 2/20 0.51
MAPK1 P28482 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
PKM P14618 2/20 0.48
LMNA P02545 2/20 0.48
DYRK1A Q13627 4/20 0.48
DYRK1B Q9Y463 1/20 0.48
JAK2 O60674 1/20 0.46
JAK1 P23458 1/20 0.46
TYK2 P29597 1/20 0.46
HTT P42858 1/20 0.46
NOD2 Q9HC29 1/20 0.46
IMPDH2 P12268 1/20 0.44
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TP53 P04637 2/20 0.41

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
SCHEMBL5029725 0.81 IL2 (0.56) IL2NPC1RAB9AKDM4EALDH1A1
SCHEMBL5033771 0.81 IL2 (0.56) IL2NPC1RAB9AKDM4EALDH1A1
SCHEMBL5030926 0.79 IL2 (0.53) IL2NPC1RAB9ALMNADYRK1A
SCHEMBL5027355 0.78 DYRK1A (0.45) IL2NPC1RAB9ADYRK1ADYRK1B
SCHEMBL4769462 0.77 IL2 (0.61) IL2NPC1RAB9AKDM4EALDH1A1
SCHEMBL986898 0.77 NPC1 (0.50) IL2NPC1RAB9AKDM4EALDH1A1
SCHEMBL986619 0.77 NPC1 (0.50) IL2NPC1RAB9AKDM4EALDH1A1
SCHEMBL13640659 0.77 IL2 (0.51) IL2NPC1RAB9AKDM4EALDH1A1
SCHEMBL2305773 0.76 IL2 (0.54) IL2NPC1RAB9AKDM4EALDH1A1
SCHEMBL2845664 0.76 IL2 (0.52) IL2NPC1RAB9AKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1983831-A2 PHENYL AND PYRIDYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES Synta Pharmaceuticals Corporation (US) 2008-10-29 EP claimed
US-20070275960-A1 Phenyl and pyridyl compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2007-11-29 US claimed
WO-2007087429-A2 PHENYL AND PYRIDYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2007-08-02 WO claimed
EP-1983831-A2 PHENYL AND PYRIDYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES Synta Pharmaceuticals Corporation (US) 2008-10-29 EP disclosed
US-20070275960-A1 Phenyl and pyridyl compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2007-11-29 US disclosed
US-20070275960-A1 Phenyl and pyridyl compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2007-11-29 US disclosed
US-20070275960-A1 Phenyl and pyridyl compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2007-11-29 US disclosed
WO-2007087429-A2 PHENYL AND PYRIDYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2007-08-02 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 (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-20070275960-A1 Phenyl and pyridyl compounds for inflammation and immune-related uses NLRP3, CCR1, NLRP1 IL2 55/4885NPC1 636/4885RAB9A 2515/4885

“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.