SCHEMBL890583

SCHEMBL890583

CC(Br)c1c(-c2cc(F)cc(F)c2)c(=O)c2cc(F)ccc2n1C

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 2/20 0.53
ATM Q13315 1/20 0.40
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
HCRTR1 O43613 1/20 0.35
KDM4E B2RXH2 3/20 0.34
ALDH1A1 P00352 3/20 0.34
HPGD P15428 2/20 0.34
HSD17B10 Q99714 1/20 0.34
MAPK14 Q16539 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.33
HSP90AA1 P07900 1/20 0.32
PER2 O15055 1/20 0.32
CRY2 Q49AN0 1/20 0.32
SRC P12931 1/20 0.32

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
SCHEMBL10107682 0.87 PIK3CD (0.56) PIK3CDATMKMT2AMEN1HCRTR1
SCHEMBL890802 0.81 PIK3CD (0.48) PIK3CDATMKMT2AMEN1HCRTR1
SCHEMBL890554 0.76 PIK3CD (0.43) PIK3CDATMKMT2AMEN1HCRTR1
SCHEMBL890518 0.71 PIK3CD (1.00) PIK3CD
SCHEMBL13925420 0.70 ATM (0.67) ATMKMT2AMEN1HCRTR1KDM4E
SCHEMBL21957282 0.67 ATM (0.46) ATMKMT2AMEN1HCRTR1KDM4E
SCHEMBL31027366 0.67 ATM (0.46) ATMKMT2AMEN1HCRTR1KDM4E
SCHEMBL15565909 0.66 THRB (0.42) ATMKMT2AMEN1HCRTR1KDM4E
SCHEMBL8140534 0.65 ATM (0.53) ATMKMT2AMEN1HCRTR1KDM4E
SCHEMBL22016488 0.65 ATM (0.41) ATMKMT2AMEN1HCRTR1KDM4E

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 PIK3CD 24/4885ATM 639/4885KMT2A 679/4885

“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.