SCHEMBL3559475

SCHEMBL3559475

N#CC(=Cc1ccccc1-n1nc(C(F)(F)F)cc1C(F)(F)F)c1cccc(F)c1F

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CRACR2A Q9BSW2 4/20 0.37
TP53 P04637 2/20 0.34
MAPT P10636 3/20 0.34
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
THRB P10828 2/20 0.33
TRPC1 P48995 1/20 0.33
TRPC3 Q13507 1/20 0.33
STIM1 Q13586 1/20 0.33
ORAI1 Q96D31 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TRPV1 Q8NER1 2/20 0.31
NR3C2 P08235 1/20 0.31
PTGS1 P23219 1/20 0.30
PTGS2 P35354 1/20 0.30

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 0.83 ORAI1 (0.41) CRACR2ATP53MAPTKDM4EALDH1A1
SCHEMBL13438433 0.83 ORAI1 (0.41) CRACR2ATP53MAPTKDM4EALDH1A1
SCHEMBL3561052 0.83 ORAI1 (0.37) CRACR2ATP53MAPTKDM4EALDH1A1
SCHEMBL3561963 0.82 ALDH1A1 (0.37) CRACR2ATP53MAPTKDM4EALDH1A1
SCHEMBL3559491 0.76 ALDH1A1 (0.46) TP53MAPTKDM4EALDH1A1MEN1
SCHEMBL3557306 0.73 ORAI1 (0.42) TP53MAPTKDM4EALDH1A1MEN1
SCHEMBL3559317 0.72 ALDH1A1 (0.39) TP53MAPTKDM4EALDH1A1MEN1
SCHEMBL5184445 0.72 TRPC3 (0.39) CRACR2ATP53MAPTKDM4EALDH1A1
SCHEMBL3559319 0.72 ALDH1A1 (0.39) TP53MAPTKDM4EALDH1A1MEN1
SCHEMBL3560798 0.72 ORAI1 (0.43) CRACR2ATP53MAPTKDM4EALDH1A1

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 CRACR2A 4779/4885TP53 637/4885MAPT 643/4885
US-20070270478-A1 ACRYLONITRILE DERIVATIVES FOR INFLAMMATION AND IMMUNE-RELATED USES IL1B, IL6, TLR4 CRACR2A 4779/4885TP53 637/4885MAPT 643/4885

“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.