SCHEMBL4856952

SCHEMBL4856952

N#Cc1nccc2c(Br)cccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 1/20 0.46
KDM4E B2RXH2 3/20 0.44
ALDH1A1 P00352 3/20 0.44
POLB P06746 1/20 0.44
DYRK1A Q13627 1/20 0.39
CACNA2D1 P54289 2/20 0.38
PARP1 P09874 1/20 0.34
GRM5 P41594 1/20 0.33
KCNH2 Q12809 1/20 0.33
BCAT1 P54687 1/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
HTT P42858 2/20 0.33
MAPT P10636 2/20 0.33
TP53 P04637 2/20 0.33
APAF1 O14727 1/20 0.33
TDP2 O95551 1/20 0.33
CASP3 P42574 1/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP7 Q9BQF6 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
SCHEMBL3939571 0.78 ALDH1A1 (0.48) KDM4EALDH1A1POLBDYRK1ACACNA2D1
SCHEMBL13723931 0.78 CYP1A2 (0.48) KDM4EALDH1A1POLBCACNA2D1HTT
SCHEMBL20292623 0.78 KDM4E (0.44) KDM4EALDH1A1POLBCACNA2D1PARP1
SCHEMBL7438690 0.78 KDM4E (0.44) KDM4EALDH1A1POLBCACNA2D1PARP1
SCHEMBL28683978 0.78 KDM4E (0.62) KDM4EALDH1A1POLBDYRK1ACACNA2D1
SCHEMBL755947 0.77 ALDH1A1 (0.61) PLAUKDM4EALDH1A1POLBDYRK1A
SCHEMBL25463072 0.75 PLAU (0.50) PLAUKDM4EALDH1A1DYRK1APARP1
SCHEMBL391339 0.74
SCHEMBL29460191 0.74
SCHEMBL2627866 0.74 CACNA2D1 (0.41) KDM4EALDH1A1POLBCACNA2D1BCAT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2721019-B1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE AGIOS PHARMACEUTICALS INC (US) 2018-08-08 EP disclosed
US-9856279-B2 Therapeutically active compositions and their methods of use AGIOS PHARMACEUTICALS, INC. (US) 2018-01-02 US disclosed
US-20160229876-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE SERVIER PHARMACEUTICALS LLC 2016-08-11 US disclosed
US-20160229876-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE SERVIER PHARMACEUTICALS LLC 2016-08-11 US disclosed
EP-2721019-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE Agios Pharmaceuticals, Inc. (US) 2014-04-23 EP disclosed
WO-2012171337-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE AGIOS PHARMACEUTICALS, INC. (US) 2012-12-20 WO disclosed
WO-2012171337-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE AGIOS PHARMACEUTICALS, INC. (US) 2012-12-20 WO disclosed
US-7456169-B2 Heterocyclic kinase inhibitors ABBOTT LABORATORIES INC. (US) 2008-11-25 US disclosed
US-20070254867-A1 Heterocyclic Kinase Inhibitors ABBVIE INC. 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-20160229876-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE MCL1, TP53, MMP8 PLAU 410/4885KDM4E 3923/4885ALDH1A1 1551/4885
US-20070254867-A1 Heterocyclic Kinase Inhibitors MAP3K20, MAP3K19, MAP4K2 PLAU 2599/4885KDM4E 1406/4885ALDH1A1 3257/4885

“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.