SCHEMBL3563369

SCHEMBL3563369

Cc1cc(C(F)(F)F)n(-c2ccc(C=C(C#N)C(=O)c3ccc(F)c(F)c3)cc2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.40
MAPT P10636 8/20 0.40
KMT2A Q03164 8/20 0.40
MEN1 O00255 7/20 0.40
LMNA P02545 5/20 0.40
EGFR P00533 4/20 0.40
ERBB2 P04626 4/20 0.40
KDM4E B2RXH2 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
POLB P06746 3/20 0.40
HPGD P15428 2/20 0.40
USP2 O75604 2/20 0.40
MAPK1 P28482 2/20 0.40
RECQL P46063 2/20 0.40
BLM P54132 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
RGS12 O14924 1/20 0.40
TP53 P04637 1/20 0.40
CYP1A2 P05177 1/20 0.40
ALPL P05186 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
SCHEMBL3563366 1.00 ALDH1A1 (0.40) ALDH1A1MAPTKMT2AMEN1LMNA
SCHEMBL3561805 0.89 ORAI1 (0.47) ALDH1A1MAPTKMT2AMEN1LMNA
SCHEMBL3559957 0.86 MAPT (0.39) ALDH1A1MAPTKMT2AMEN1LMNA
SCHEMBL3559956 0.86 MAPT (0.39) ALDH1A1MAPTKMT2AMEN1LMNA
SCHEMBL3558108 0.86 ALDH1A1 (0.41) ALDH1A1MAPTKMT2AMEN1LMNA
SCHEMBL3558103 0.86 ALDH1A1 (0.41) ALDH1A1MAPTKMT2AMEN1LMNA
SCHEMBL3558311 0.84 ALDH1A1 (0.41) ALDH1A1MAPTKMT2AMEN1LMNA
SCHEMBL3558315 0.84 ALDH1A1 (0.41) ALDH1A1MAPTKMT2AMEN1LMNA
SCHEMBL3563091 0.83 MAPT (0.38) ALDH1A1MAPTKMT2AMEN1LMNA
SCHEMBL3563088 0.83 MAPT (0.38) ALDH1A1MAPTKMT2AMEN1LMNA

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 2 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
US-20070270478-A1 ACRYLONITRILE DERIVATIVES FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2007-11-22 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-20070270478-A1 ACRYLONITRILE DERIVATIVES FOR INFLAMMATION AND IMMUNE-RELATED USES IL1B, IL6, TLR4 ALDH1A1 472/4885MAPT 643/4885KMT2A 4809/4885

“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.