SCHEMBL3559491

SCHEMBL3559491

N#CC(=Cc1ccc(-n2nc(C(F)(F)F)cc2C(F)(F)F)cc1)c1ccccc1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
TP53 P04637 3/20 0.44
ORAI1 Q96D31 3/20 0.42
TRPC3 Q13507 3/20 0.42
TRPC1 P48995 1/20 0.42
STIM1 Q13586 1/20 0.42
MAPT P10636 5/20 0.42
PPARD Q03181 2/20 0.38
PTGS1 P23219 2/20 0.38
PTGS2 P35354 1/20 0.38
THRB P10828 1/20 0.38
GAA P10253 1/20 0.36
KIF20A O95235 1/20 0.36
LMNA P02545 2/20 0.36
HPGD P15428 1/20 0.36
TRPC5 Q9UL62 1/20 0.36
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
NPC1 O15118 1/20 0.35

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
SCHEMBL3556322 0.92 ORAI1 (0.41) ALDH1A1TP53ORAI1TRPC3TRPC1
SCHEMBL13438433 0.92 ORAI1 (0.41) ALDH1A1TP53ORAI1TRPC3TRPC1
SCHEMBL14379044 0.88 ORAI1 (0.42) ALDH1A1TP53ORAI1TRPC3TRPC1
SCHEMBL3559709 0.88 ORAI1 (0.42) ALDH1A1TP53ORAI1TRPC3TRPC1
SCHEMBL3556719 0.88 ORAI1 (0.43) ALDH1A1TP53ORAI1TRPC3TRPC1
SCHEMBL3557306 0.86 ORAI1 (0.42) ALDH1A1TP53ORAI1TRPC3TRPC1
SCHEMBL3560070 0.85 ORAI1 (0.41) ALDH1A1TP53ORAI1TRPC3TRPC1
SCHEMBL3560874 0.84 ALDH1A1 (0.42) ALDH1A1TP53MAPTPPARDPTGS1
SCHEMBL3560876 0.84 ALDH1A1 (0.42) ALDH1A1TP53MAPTPPARDPTGS1
SCHEMBL3557629 0.84 ORAI1 (0.41) ALDH1A1TP53ORAI1TRPC3TRPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7705029-B2 Acrylonitrile derivatives for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2010-04-27 US disclosed
EP-1732900-A4 ACRYLONITRILE DERIVATIVES FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP (US) 2007-12-12 EP disclosed
US-20070270478-A1 ACRYLONITRILE DERIVATIVES FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2007-11-22 US disclosed
US-7202232-B2 Acrylonitrile derivatives for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2007-04-10 US disclosed
EP-1732900-A2 ACRYLONITRILE DERIVATIVES FOR INFLAMMATION AND IMMUNE-RELATED USES Synta Pharmaceuticals Corporation (US) 2006-12-20 EP disclosed
US-20050272699-A1 Acrylonitrile derivatives for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. 2005-12-08 US disclosed
WO-2005091752-A2 ACRYLONITRILE DERIVATIVES FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2005-10-06 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 (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-20050272699-A1 Acrylonitrile derivatives for inflammation and immune-related uses IL1B, IL6, TLR4 ALDH1A1 472/4885TP53 637/4885ORAI1 3017/4885
US-20070270478-A1 ACRYLONITRILE DERIVATIVES FOR INFLAMMATION AND IMMUNE-RELATED USES IL1B, IL6, TLR4 ALDH1A1 472/4885TP53 637/4885ORAI1 3017/4885

“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.