SCHEMBL5033873

SCHEMBL5033873

O=C(Nc1ccc(-c2sc(-c3ncco3)cc2Cl)cn1)c1ccncc1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.43
NPC1 O15118 3/20 0.43
IL2 P60568 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
ABCB1 P08183 2/20 0.38
ABCC1 P33527 1/20 0.38
ABL1 P00519 1/20 0.37
ADORA3 P0DMS8 1/20 0.36
ADORA2A P29274 1/20 0.36
ADORA2B P29275 1/20 0.36
CYP2C19 P33261 1/20 0.36
STIM1 Q13586 1/20 0.35
ORAI1 Q96D31 1/20 0.35
MCL1 Q07820 1/20 0.35
CSNK1D P48730 1/20 0.34
CSNK1E P49674 1/20 0.34
MALT1 Q9UDY8 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL5435249 0.89 RAB9A (0.41) RAB9ANPC1IL2SMN1; SMN2ABCB1
SCHEMBL5032094 0.89 IL2 (0.44) RAB9ANPC1IL2SMN1; SMN2TDP1
SCHEMBL5032080 0.89 IL2 (0.43) RAB9ANPC1IL2SMN1; SMN2TDP1
SCHEMBL5030805 0.85 IL2 (0.51) RAB9ANPC1IL2SMN1; SMN2TDP1
SCHEMBL8233548 0.85 IL2 (0.44) RAB9ANPC1IL2CYP2C19STIM1
SCHEMBL5033858 0.82 IL2 (0.51) RAB9ANPC1IL2SMN1; SMN2CYP2C19
SCHEMBL5032073 0.81 ABCB1 (0.39) RAB9ANPC1IL2SMN1; SMN2ABCB1
SCHEMBL5033884 0.78 IL2 (0.49) RAB9ANPC1IL2ABL1ADORA3
SCHEMBL14360792 0.78 POLB (0.42) RAB9ANPC1IL2SMN1; SMN2CYP2C19
SCHEMBL5027368 0.77 IL2 (0.43) RAB9ANPC1IL2SMN1; SMN2TDP1

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 6 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
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

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 RAB9A 2515/4885NPC1 636/4885IL2 55/4885

“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.