SCHEMBL2679751

SCHEMBL2679751

Cc1ccc(NC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1NC(=O)C=Cc1cccnc1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 12/20 0.64
BRAF P15056 3/20 0.60
MAPK14 Q16539 1/20 0.60
KDR P35968 2/20 0.56
HDAC1 Q13547 1/20 0.56
HDAC8 Q9BY41 1/20 0.56
HDAC6 Q9UBN7 1/20 0.56
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
LMNA P02545 1/20 0.52
MAPT P10636 1/20 0.52
ATM Q13315 1/20 0.52
NPC1 O15118 1/20 0.48
TRPV1 Q8NER1 1/20 0.48

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
SCHEMBL10054909 1.00 NAMPT (0.64) NAMPTBRAFMAPK14KDRHDAC1
SCHEMBL2679749 1.00 NAMPT (0.64) NAMPTBRAFMAPK14KDRHDAC1
SCHEMBL2679309 0.91 BRAF (0.62) NAMPTBRAFMAPK14KDRMEN1
SCHEMBL10078410 0.91 BRAF (0.62) NAMPTBRAFMAPK14KDRMEN1
SCHEMBL2678800 0.90 NAMPT (0.55) NAMPTBRAFMAPK14KDRMEN1
SCHEMBL10054913 0.90 NAMPT (0.55) NAMPTBRAFMAPK14KDRMEN1
SCHEMBL2678798 0.90 NAMPT (0.55) NAMPTBRAFMAPK14KDRMEN1
SCHEMBL2680135 0.89 MEN1 (0.52) NAMPTBRAFMAPK14KDRHDAC1
SCHEMBL2679264 0.89 MEN1 (0.52) NAMPTBRAFMAPK14KDRHDAC1
SCHEMBL10054912 0.89 MEN1 (0.52) NAMPTBRAFMAPK14KDRHDAC1

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 5 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
CN-102421754-A Acrylamide derivative and use thereof in manufacture of medicament BEIJING JIASHILIANBO PHARM SCI & TECH CO LTD 2012-04-18 CN 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 NAMPT 3700/4885BRAF 21/4885MAPK14 59/4885

“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.