SCHEMBL1622552

SCHEMBL1622552

CC(C)(C)[SiH2]OC(C)(C)c1cc(Br)c(C=NN=C(c2ccccc2)c2ccccc2)s1

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.33
LMNA P02545 2/20 0.33
MAPT P10636 2/20 0.33
KMT2A Q03164 2/20 0.33
KDM4E B2RXH2 1/20 0.33
NSD2 O96028 1/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
G6PD P11413 1/20 0.33
HPGD P15428 1/20 0.33
MAPK1 P28482 1/20 0.33
MPI P34949 1/20 0.33
HTT P42858 1/20 0.33
BLM P54132 1/20 0.33
CACNA1B Q00975 1/20 0.33
APBA1 Q02410 1/20 0.33
MCL1 Q07820 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL1623893 0.72
SCHEMBL1620805 0.71 KMT2A (0.43) MEN1LMNAMAPTKMT2AKDM4E
SCHEMBL12717925 0.71 KMT2A (0.43) MEN1LMNAMAPTKMT2AKDM4E
SCHEMBL12717763 0.71 MEN1 (0.34) MEN1LMNAMAPTKMT2AKDM4E
SCHEMBL14405984 0.65 KMT2A (0.48) MEN1LMNAMAPTKMT2AKDM4E
SCHEMBL15879914 0.65 KMT2A (0.48) MEN1LMNAMAPTKMT2AKDM4E
SCHEMBL18555085 0.65 KMT2A (0.48) MEN1LMNAMAPTKMT2AKDM4E
SCHEMBL5960417 0.63 CCR5 (0.35) MEN1LMNAMAPTKMT2AKDM4E
SCHEMBL12748098 0.60 MAPT (0.43) MEN1LMNAMAPTKMT2AKDM4E
SCHEMBL1622924 0.57 KMT2A (0.40) MEN1LMNAMAPTKMT2AKDM4E

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-7928231-B2 Thienopyrazoles AVENTIS PHARMACEUTICALS INC. (US) 2011-04-19 US disclosed
EP-1682553-B1 THIENOPYRAZOLES AVENTIS PHARMA INC (US) 2010-05-19 EP disclosed
US-20100056514-A1 THIENOPYRAZOLES AVENTIS PHARMACEUTICALS INC. (US) 2010-03-04 US disclosed
US-7518000-B2 Thienopyrazoles AVENTIS PHARMACEUTICALS, INC. (US) 2009-04-14 US disclosed
US-20070254937-A1 Thienopyrazoles AVENTIS PHARMACEUTICALS INC. (US) 2007-11-01 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 (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-20100056514-A1 THIENOPYRAZOLES ITK, IL2, TYK2 MEN1 4673/4885LMNA 4631/4885MAPT 1233/4885
US-20070254937-A1 Thienopyrazoles ITK, IL2, JAK2 MEN1 4708/4885LMNA 4668/4885MAPT 1609/4885

“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.