SCHEMBL2680451

SCHEMBL2680451

Cc1ccc(NC(=O)c2ccc(C)c(NC(=O)C=Cc3cncnc3)c2)cc1Br

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 3/20 0.48
KIT P10721 3/20 0.48
SRC P12931 3/20 0.48
MAPK14 Q16539 3/20 0.48
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
BRAF P15056 2/20 0.46
ABL1 P00519 3/20 0.46
HDAC1 Q13547 3/20 0.46
KDR P35968 2/20 0.46
HDAC8 Q9BY41 2/20 0.46
HDAC6 Q9UBN7 2/20 0.46
HDAC3 O15379 1/20 0.46
PDGFRB P09619 1/20 0.46
BCR P11274 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46

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
SCHEMBL10054899 0.96 NPC1 (0.50) LCKKITSRCMAPK14NPC1
SCHEMBL2679362 0.89 LMNA (0.56) NPC1RAB9ASMN1; SMN2BRAFABL1
SCHEMBL2679606 0.89 LMNA (0.49) LCKKITSRCMAPK14NPC1
SCHEMBL10077696 0.89 LMNA (0.49) LCKKITSRCMAPK14NPC1
SCHEMBL2679308 0.88 MAPT (0.49) LCKKITSRCMAPK14NPC1
SCHEMBL2679346 0.88 KIT (0.51) LCKKITSRCMAPK14BRAF
SCHEMBL10078767 0.87 MAPT (0.49) LCKKITSRCMAPK14NPC1
SCHEMBL2679844 0.87 MAPT (0.49) LCKKITSRCMAPK14NPC1
SCHEMBL10078761 0.87 SNCA (0.52) LCKKITSRCMAPK14NPC1
SCHEMBL2679289 0.87 SNCA (0.52) LCKKITSRCMAPK14NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8426446-B2 Acrylamide derivative and use thereof in manufacture of medicament BEIJING SHIQIAO BIOPHARM CO. LTD. (CN) 2013-04-23 US claimed
US-20120116075-A1 Acrylamide Derivative And Use Thereof In Manufacture Of Medicament BEIJING JIASHILIANBO PHARM SCI & TECH CO. LTD 2012-05-10 US claimed
US-8426446-B2 Acrylamide derivative and use thereof in manufacture of medicament BEIJING SHIQIAO BIOPHARM CO. LTD. (CN) 2013-04-23 US disclosed
US-20120116075-A1 Acrylamide Derivative And Use Thereof In Manufacture Of Medicament BEIJING JIASHILIANBO PHARM SCI & TECH CO. LTD 2012-05-10 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-20120116075-A1 Acrylamide Derivative And Use Thereof In Manufacture Of Medicament ABL1, ABL2, BCR LCK 14/4885KIT 399/4885SRC 8/4885

“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.