SCHEMBL890534

SCHEMBL890534

CC(=O)OCc1nc2ccccn2c(=O)c1Br

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.44
ALDH1A1 P00352 4/20 0.44
MAPK1 P28482 1/20 0.43
KMT2A Q03164 2/20 0.42
MAPT P10636 1/20 0.41
GAA P10253 3/20 0.41
RXFP1 Q9HBX9 3/20 0.41
TDP1 Q9NUW8 2/20 0.41
GLA P06280 2/20 0.41
ATM Q13315 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
POLB P06746 1/20 0.40
MEN1 O00255 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39

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
SCHEMBL3146184 0.85 MAPK1 (0.43) KDM4EALDH1A1MAPK1KMT2AMAPT
SCHEMBL21772731 0.80 ALDH1A1 (0.41) KDM4EALDH1A1MAPK1MAPTGAA
SCHEMBL890660 0.80 GABRA1 (0.37) KDM4EALDH1A1MAPK1MAPTGAA
SCHEMBL890574 0.79 KDM4E (0.47) KDM4EALDH1A1KMT2AMAPTGAA
SCHEMBL3090839 0.79 KDM4E (0.51) KDM4EALDH1A1MAPTGAATDP1
SCHEMBL21772417 0.79 CYP1A2 (0.34) KDM4EALDH1A1KMT2AMAPTGAA
SCHEMBL3959722 0.79 POLB (0.47) KDM4EALDH1A1KMT2AMAPTGAA
SCHEMBL890805 0.79 HTT (0.44) KDM4EALDH1A1MAPK1MAPTGAA
Bromide SCHEMBL3957044 0.78 KDM4E (0.50) KDM4EALDH1A1MAPTGAATDP1
SCHEMBL3955368 0.77 MAPT (0.52) KDM4EALDH1A1MAPTGAATDP1

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 1436/4885ALDH1A1 3735/4885MAPK1 1023/4885

“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.