SCHEMBL2679133

SCHEMBL2679133

Cc1cn(-c2cc(NC(=O)c3ccc(C)c(NC(=O)C=Cc4cccnc4)c3)cc(C(F)(F)F)c2)cn1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 12/20 0.69
BCR P11274 7/20 0.66
LDLR P01130 3/20 0.66
KIT P10721 3/20 0.66
PCSK9 Q8NBP7 3/20 0.66
EPHB2 P29323 2/20 0.66
HCK P08631 2/20 0.66
ADORA3 P0DMS8 2/20 0.66
RAF1 P04049 2/20 0.66
PDGFRB P09619 2/20 0.66
OPRK1 P41145 2/20 0.66
SRC P12931 2/20 0.66
EPHB6 O15197 1/20 0.66
CA12 O43570 1/20 0.66
CACNA1F O60840 1/20 0.66
SLC22A3 O75751 1/20 0.66
STK10 O94804 1/20 0.66
CA1 P00915 1/20 0.66
CA2 P00918 1/20 0.66
LCK P06239 1/20 0.66

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
SCHEMBL2679277 0.92 EPHB2 (0.65) ABL1BCRLDLRKITPCSK9
SCHEMBL10078661 0.92 EPHB2 (0.65) ABL1BCRLDLRKITPCSK9
SCHEMBL2679952 0.88 CSF1R (0.62) ABL1BCRKITSRCLCK
SCHEMBL10077754 0.85 ABL1 (0.50) ABL1BCRLDLRKITPCSK9
SCHEMBL2679720 0.85 ABL1 (0.50) ABL1BCRLDLRKITPCSK9
SCHEMBL10077740 0.83 CSF1R (0.73) KITEPHB2SRCLCKCSF1R
SCHEMBL2679147 0.83 CSF1R (0.73) KITEPHB2SRCLCKCSF1R
SCHEMBL14642889 0.82 ABL1 (0.78) ABL1BCRLDLRKITPCSK9
SCHEMBL30546751 0.82 EPHB2 (0.77) ABL1BCRLDLRKITPCSK9
SCHEMBL28382296 0.82 EPHB2 (0.77) ABL1BCRLDLRKITPCSK9

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 ABL1 1/4885BCR 3/4885LDLR 4720/4885

“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.