SCHEMBL5032080

SCHEMBL5032080

O=C(Nc1ccc(-c2sc(-c3ncco3)cc2Cl)cn1)c1c(F)cncc1F

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IL2 P60568 4/20 0.43
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
BRD4 O60885 1/20 0.37
GRM5 P41594 1/20 0.35
CYP3A4 P08684 2/20 0.35
ALDH1A1 P00352 2/20 0.34
CYP2C19 P33261 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
PKM P14618 1/20 0.34
TSHR P16473 1/20 0.34
CYP2C9 P11712 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
ADORA2A P29274 1/20 0.34
ADORA2B P29275 1/20 0.34
BACE1 P56817 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
WNT3A P56704 1/20 0.33

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
SCHEMBL8233548 0.94 IL2 (0.44) IL2NPC1RAB9ABRD4CYP3A4
SCHEMBL5030805 0.93 IL2 (0.51) IL2NPC1RAB9ABRD4ALDH1A1
SCHEMBL5033873 0.89 RAB9A (0.43) IL2NPC1RAB9AGRM5ALDH1A1
SCHEMBL5033884 0.89 IL2 (0.49) IL2NPC1RAB9AALDH1A1CYP2C19
SCHEMBL5033858 0.87 IL2 (0.51) IL2NPC1RAB9AALDH1A1CYP2C19
SCHEMBL8228068 0.85 IL2 (0.45) IL2NPC1RAB9AALDH1A1CYP2C19
SCHEMBL5435249 0.82 RAB9A (0.41) IL2NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL5032016 0.81 IL2 (0.57) IL2NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL14360792 0.79 POLB (0.42) IL2NPC1RAB9AALDH1A1CYP2C19
SCHEMBL5029747 0.78 IL2 (0.54) IL2NPC1RAB9AALDH1A1SMN1; 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 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.