SCHEMBL2387296

SCHEMBL2387296

CN(C)C(CCC(N)=O)N(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.44
ALOX15 P16050 1/20 0.44
BLM P54132 1/20 0.44
PMP22 Q01453 1/20 0.44
CHRNB2 P17787 2/20 0.38
CHRNB4 P30926 2/20 0.38
CHRNA4 P43681 2/20 0.38
CHRNA3 P32297 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
DPP4 P27487 1/20 0.36
DPP8 Q6V1X1 1/20 0.36
DPP9 Q86TI2 1/20 0.36
GABRP O00591 2/20 0.31
GABRD O14764 2/20 0.31
GABRA1 P14867 2/20 0.31
GABRB1 P18505 2/20 0.31
GABRG2 P18507 2/20 0.31
GABRB3 P28472 2/20 0.31
GABRA5 P31644 2/20 0.31
GABRA3 P34903 2/20 0.31

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
SCHEMBL26004047 0.78 CHRNB2 (0.55) KMT2AALOX15BLMPMP22CHRNB2
SCHEMBL197387 0.75 KMT2A (0.50) KMT2AALOX15BLMPMP22CHRNB2
SCHEMBL23037168 0.75 KMT2A (0.50) KMT2AALOX15BLMPMP22CHRNB2
SCHEMBL197386 0.75 KMT2A (0.50) KMT2AALOX15BLMPMP22CHRNB2
SCHEMBL20099695 0.75 ALOX15 (0.40) KMT2AALOX15BLMPMP22CHRNB2
SCHEMBL6236654 0.74 TDP1 (0.39) ALOX15BLMPMP22CHRNB2CHRNB4
SCHEMBL21540838 0.73 ALOX15 (0.35) KMT2AALOX15BLMPMP22CHRNB2
Succinamide SCHEMBL27773517 0.72 ALOX15 (0.39) KMT2AALOX15BLMPMP22TDP1
SCHEMBL21940828 0.72 ALOX15 (0.38) KMT2AALOX15BLMPMP22CHRNB2
SCHEMBL6420615 0.72 TDP1 (0.31) TDP1

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-8022216-B2 Maleate salts of (E)-N-{4-[3-chloro-4-(2-pyridinylmethoxy)anilino]-3-cyano-7-ethoxy-6-quinolinyl}-4-(dimethylamino)-2-butenamide and crystalline forms thereof WYETH LLC (US) 2011-09-20 US disclosed
US-20090176827-A1 MALEATE SALTS OF (E)-N--4-(DIMETHYLAMINO)-2-BUTENAMIDE AND CRYSTALLINE FORMS THEREOF WYETH (US) 2009-07-09 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-20090176827-A1 MALEATE SALTS OF (E)-N--4-(DIMETHYLAMINO)-2-BUTENAMIDE AND CRYSTALLINE FORMS THEREOF EGFR, ERBB4, ALK KMT2A 1778/4885ALOX15 4816/4885BLM 1814/4885

“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.