SCHEMBL10101319

SCHEMBL10101319

O=C(Nc1ccc(-c2c[n+](Cc3ccccc3)ccc2Cl)cc1)c1c(F)cccc1F

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IL2 P60568 3/20 0.53
ITGB1 P05556 3/20 0.46
ITGA4 P13612 3/20 0.46
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
RAB9A P51151 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
JAK2 O60674 2/20 0.42
JAK1 P23458 2/20 0.42
TYK2 P29597 2/20 0.42
PKM P14618 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
HTT P42858 1/20 0.41
NOD2 Q9HC29 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
PPARG P37231 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
SCHEMBL8184337 0.88 IL2 (0.46) IL2ITGB1ITGA4JAK2JAK1
SCHEMBL15456644 0.78 IL2 (0.67) IL2ITGB1ITGA4GAAMAPT
SCHEMBL1825939 0.74 IL2 (0.76) IL2ITGB1ITGA4GAAMAPT
SCHEMBL4724528 0.72 IL2 (0.69) IL2ITGB1ITGA4GAAMAPT
SCHEMBL12988970 0.71 IL2 (0.71) IL2ITGB1ITGA4GAAMAPT
SCHEMBL10101318 0.71 TYK2 (0.62) IL2GAAMAPTRAB9ANPSR1
SCHEMBL16363192 0.71 IL2 (0.71) IL2GAAMAPTRAB9ANPSR1
SCHEMBL14093274 0.71 STIM1 (0.48) IL2GAAMAPTRAB9ATYK2
Bromide SCHEMBL3814237 0.70 STIM1 (0.48) IL2GAAMAPTRAB9ATYK2
SCHEMBL30739749 0.69 JAK2 (0.71) GAARAB9AJAK2JAK1TYK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8349841-B2 Vinyl-aryl derivatives for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2013-01-08 US disclosed
US-20120040997-A9 VINYL-ARYL DERIVATIVES FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. 2012-02-16 US disclosed
US-20100292252-A1 VINYL-ARYL DERIVATIVES FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. 2010-11-18 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 (2 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-20120040997-A9 VINYL-ARYL DERIVATIVES FOR INFLAMMATION AND IMMUNE-RELATED USES MALT1, VCAM1, TSLP IL2 26/4885ITGB1 951/4885ITGA4 695/4885
US-20100292252-A1 VINYL-ARYL DERIVATIVES FOR INFLAMMATION AND IMMUNE-RELATED USES MALT1, VCAM1, TSLP IL2 26/4885ITGB1 951/4885ITGA4 695/4885

“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.