SCHEMBL890517

SCHEMBL890517

CC(N)c1cc(=O)n2ccccc2n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.46
ADORA3 P0DMS8 2/20 0.46
ADORA2A P29274 1/20 0.46
ADORA2B P29275 1/20 0.46
ADORA1 P30542 1/20 0.46
PRKDC P78527 1/20 0.46
HPGD P15428 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
MAPT P10636 1/20 0.45
KMT2A Q03164 1/20 0.45
RXFP1 Q9HBX9 1/20 0.43
GRM5 P41594 2/20 0.42
HSP90AA1 P07900 1/20 0.42
HSP90AB1 P08238 1/20 0.42
ALDH1A1 P00352 2/20 0.42
GLA P06280 2/20 0.42
GAA P10253 2/20 0.42
NPC1 O15118 1/20 0.42
CASP1 P29466 1/20 0.42
CASP7 P55210 1/20 0.42

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
SCHEMBL17297885 0.87 KDM4E (0.48) KDM4EADORA3ADORA2AADORA2BADORA1
SCHEMBL26123296 0.81 KDM4E (0.48) KDM4EADORA3ADORA2AADORA2BADORA1
SCHEMBL30057528 0.79 KDM4E (0.47) KDM4EADORA3ADORA2AADORA2BADORA1
SCHEMBL862066 0.75 KDM4E (0.51) KDM4EADORA3ADORA2AADORA2BADORA1
SCHEMBL2823070 0.75 KDM4E (0.64) KDM4EADORA3ADORA2AADORA2BADORA1
SCHEMBL3958034 0.73 KDM4E (0.55) KDM4EADORA3ADORA2AADORA2BADORA1
SCHEMBL26125226 0.73 KDM4E (0.49) KDM4EADORA3ADORA2AADORA2BADORA1
SCHEMBL12442815 0.71 KDM4E (0.51) KDM4EADORA3ADORA2AADORA2BADORA1
SCHEMBL13151057 0.71 PKM (0.56) KDM4EADORA3ADORA2AADORA2BADORA1
SCHEMBL30433019 0.71 KDM4E (0.61) KDM4EADORA3ADORA2AADORA2BADORA1

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 4 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
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
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 1436/4885ADORA3 2668/4885ADORA2A 1268/4885

“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.