SCHEMBL890519

SCHEMBL890519

CC(O)c1nc2ccccn2c(=O)c1Br

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.45
GLA P06280 2/20 0.45
ALDH1A1 P00352 2/20 0.45
GAA P10253 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
THRB P10828 1/20 0.43
MAPT P10636 2/20 0.43
ATM Q13315 2/20 0.42
RXFP1 Q9HBX9 1/20 0.42
NPSR1 Q6W5P4 1/20 0.41
LMNA P02545 1/20 0.41
KMT2A Q03164 2/20 0.40
HSD17B10 Q99714 1/20 0.40
HSP90AA1 P07900 1/20 0.40
HSP90AB1 P08238 1/20 0.40
MEN1 O00255 1/20 0.40

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
SCHEMBL3962921 0.88 KDM4E (0.47) KDM4EGLAALDH1A1GAASMN1; SMN2
SCHEMBL3081043 0.87 KDM4E (0.46) KDM4EGLAALDH1A1GAASMN1; SMN2
SCHEMBL3098056 0.85 KDM4E (0.45) KDM4EGLAALDH1A1GAASMN1; SMN2
SCHEMBL890589 0.80 HSP90AA1 (0.42) KDM4EGLAALDH1A1GAASMN1; SMN2
SCHEMBL890505 0.78 PIK3CD (0.38) RXFP1
SCHEMBL2820859 0.76 KMT2A (0.53) KDM4EGLAALDH1A1GAASMN1; SMN2
SCHEMBL890555 0.75 HTT (0.49) KDM4EALDH1A1LMNA
SCHEMBL3955431 0.75 USP7 (0.53) KDM4EGLAALDH1A1GAASMN1; SMN2
SCHEMBL16340411 0.74 THRB (0.40) KDM4EGLAALDH1A1GAASMN1; SMN2
Acetic Acid SCHEMBL3963576 0.73 KMT2A (0.57) KDM4EGLAALDH1A1GAASMN1; SMN2

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
US-8754089-B2 Heterocyclic compounds and their uses AMGEN INC. (US) 2014-06-17 US disclosed
US-8754089-B2 Heterocyclic compounds and their uses AMGEN INC. (US) 2014-06-17 US disclosed
US-8754089-B2 Heterocyclic compounds and their uses AMGEN INC. (US) 2014-06-17 US disclosed
EP-2445898-A2 4H-PYRIDO[1,2-A]PYRIMIDIN-4-ONE DERIVATIVES AS PI3K INHIBITORS Amgen, Inc (US) 2012-05-02 EP disclosed
US-20120083502-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2012-04-05 US disclosed
US-20120083502-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2012-04-05 US disclosed
US-20120083502-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2012-04-05 US disclosed
WO-2010151735-A2 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2010-12-29 WO disclosed
WO-2010151735-A2 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2010-12-29 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 (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-20120083502-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES MCL1, MALT1, BCL9 KDM4E 1436/4885GLA 2490/4885ALDH1A1 3735/4885

“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.