SCHEMBL3564700

SCHEMBL3564700

N#C/C(=C\c1ccc(-n2nccc2C(F)(F)F)cc1)C(=O)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.53
ALDH1A1 P00352 6/20 0.53
KDM4E B2RXH2 4/20 0.53
PKM P14618 2/20 0.53
ATM Q13315 1/20 0.53
MEN1 O00255 3/20 0.50
MAPT P10636 2/20 0.50
EGFR P00533 2/20 0.48
ERBB2 P04626 2/20 0.48
POLB P06746 1/20 0.45
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
HPGD P15428 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
MCL1 Q07820 1/20 0.39
NTRK1 P04629 1/20 0.38

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
SCHEMBL3564703 1.00 KMT2A (0.53) KMT2AALDH1A1KDM4EPKMATM
SCHEMBL3562073 0.84 CYP2C9 (0.43) KMT2AALDH1A1KDM4EPKMATM
SCHEMBL3562071 0.84 CYP2C9 (0.43) KMT2AALDH1A1KDM4EPKMATM
SCHEMBL3555977 0.76 ALDH1A1 (0.59) KMT2AALDH1A1KDM4EPKMATM
SCHEMBL3555974 0.76 ALDH1A1 (0.59) KMT2AALDH1A1KDM4EPKMATM
SCHEMBL19888568 0.74 ALDH1A1 (0.79) KMT2AALDH1A1KDM4EPKMATM
SCHEMBL2957854 0.74 ALDH1A1 (0.79) KMT2AALDH1A1KDM4EPKMATM
SCHEMBL20959563 0.74 ALDH1A1 (0.79) KMT2AALDH1A1KDM4EPKMATM
SCHEMBL3874529 0.71 KDM4E (0.59) KMT2AKDM4EMEN1MAPTPOLB
SCHEMBL4988967 0.71 KDM4E (0.56) KMT2AALDH1A1KDM4EMEN1MAPT

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 KMT2A 4809/4885ALDH1A1 472/4885KDM4E 4711/4885
US-20070270478-A1 ACRYLONITRILE DERIVATIVES FOR INFLAMMATION AND IMMUNE-RELATED USES IL1B, IL6, TLR4 KMT2A 4809/4885ALDH1A1 472/4885KDM4E 4711/4885

“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.