SCHEMBL1622924

SCHEMBL1622924

CN(C)Cc1cc(NN=C(c2ccccc2)c2ccccc2)c(C=NN=C(c2ccccc2)c2ccccc2)s1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.40
MEN1 O00255 5/20 0.40
MAPT P10636 5/20 0.40
LMNA P02545 3/20 0.40
ALDH1A1 P00352 7/20 0.36
GAA P10253 3/20 0.36
HTT P42858 2/20 0.36
MAPK1 P28482 2/20 0.36
KDM4E B2RXH2 2/20 0.36
POLB P06746 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
NSD2 O96028 1/20 0.36
G6PD P11413 1/20 0.36
HPGD P15428 1/20 0.36
MPI P34949 1/20 0.36
BLM P54132 1/20 0.36
CACNA1B Q00975 1/20 0.36
APBA1 Q02410 1/20 0.36
MCL1 Q07820 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.34

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
SCHEMBL12717927 1.00 KMT2A (0.40) KMT2AMEN1MAPTLMNAALDH1A1
SCHEMBL12717925 0.81 KMT2A (0.43) KMT2AMEN1MAPTLMNAALDH1A1
SCHEMBL12748098 0.81 MAPT (0.43) KMT2AMEN1MAPTLMNAALDH1A1
SCHEMBL1620805 0.81 KMT2A (0.43) KMT2AMEN1MAPTLMNAALDH1A1
SCHEMBL14737888 0.72 MEN1 (0.43) KMT2AMEN1MAPTLMNAALDH1A1
SCHEMBL18578290 0.72 MEN1 (0.43) KMT2AMEN1MAPTLMNAALDH1A1
SCHEMBL14405979 0.72 MEN1 (0.43) KMT2AMEN1MAPTLMNAALDH1A1
SCHEMBL4547106 0.63 ALDH1A1 (0.48) KMT2AMEN1MAPTLMNAALDH1A1
SCHEMBL15879875 0.60 RECQL (0.51) KMT2AMEN1MAPTLMNAALDH1A1
SCHEMBL15879873 0.60 RECQL (0.51) KMT2AMEN1MAPTLMNAALDH1A1

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 7 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
EP-1682553-A1 THIENOPYRAZOLES Aventis Pharmaceuticals Inc. (US) 2006-07-26 EP disclosed
WO-2005026175-A1 THIENOPYRAZOLES AVENTIS PHARMACEUTICALS INC. (US) 2005-03-24 WO 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 KMT2A 2851/4885MEN1 4673/4885MAPT 1233/4885
US-20070254937-A1 Thienopyrazoles ITK, IL2, JAK2 KMT2A 3141/4885MEN1 4708/4885MAPT 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.