SCHEMBL890546

SCHEMBL890546

O=c1c(Br)c(CCl)nc2ccccn12

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.47
ALDH1A1 P00352 5/20 0.47
GLA P06280 2/20 0.47
GAA P10253 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MAPT P10636 3/20 0.47
NPSR1 Q6W5P4 2/20 0.47
ATM Q13315 1/20 0.43
ENPP2 Q13822 1/20 0.43
HPGD P15428 2/20 0.42
NPC1 O15118 1/20 0.42
CASP1 P29466 1/20 0.42
CASP7 P55210 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TDP1 Q9NUW8 2/20 0.41
ADORA3 P0DMS8 1/20 0.41
ADORA2A P29274 1/20 0.41
RXFP1 Q9HBX9 1/20 0.40
HTT P42858 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
SCHEMBL3090839 0.84 KDM4E (0.51) KDM4EALDH1A1GLAGAASMN1; SMN2
SCHEMBL890574 0.84 KDM4E (0.47) KDM4EALDH1A1GLAGAASMN1; SMN2
Bromide SCHEMBL3957044 0.83 KDM4E (0.50) KDM4EALDH1A1GLAGAASMN1; SMN2
SCHEMBL10970382 0.83 KDM4E (0.51) KDM4EALDH1A1GLAGAASMN1; SMN2
SCHEMBL2715301 0.82 MAPT (0.46) KDM4EALDH1A1GLAGAASMN1; SMN2
SCHEMBL3955368 0.82 MAPT (0.52) KDM4EALDH1A1GLAGAASMN1; SMN2
SCHEMBL3155115 0.81 KDM4E (0.47) KDM4EALDH1A1GLAGAASMN1; SMN2
Bromide SCHEMBL5132009 0.81 MAPT (0.51) KDM4EALDH1A1GLAGAASMN1; SMN2
SCHEMBL3959035 0.80 MAPT (0.60) KDM4EALDH1A1GLAGAASMN1; SMN2
SCHEMBL5131549 0.79 KDM4E (0.62) KDM4EALDH1A1GLAGAASMN1; 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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0156121-A2 Substituted pyrimidinyl organophosphorus compounds, compositions thereof, methods of controlling pests and intermediates in the preparation of the compounds UNIROYAL, INC. (US) 1985-10-02 EP claimed
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 3735/4885GLA 2490/4885

“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.