SCHEMBL246126

SCHEMBL246126

Cc1cc2cc(C(C)N3C(=O)c4ccccc4C3=O)c(-c3ccccn3)nc2s1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.38
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
NPSR1 Q6W5P4 4/20 0.35
GAA P10253 3/20 0.35
HTT P42858 3/20 0.35
KMT2A Q03164 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
TDP1 Q9NUW8 3/20 0.35
MAPT P10636 2/20 0.35
POLB P06746 1/20 0.35
LMNA P02545 1/20 0.34
ADORA1 P30542 1/20 0.34
MITF O75030 1/20 0.33
MAPK14 Q16539 2/20 0.33
LIMK1 P53667 1/20 0.33
LIMK2 P53671 1/20 0.33
BRD4 O60885 1/20 0.33
PIK3CD O00329 1/20 0.32
HPGD P15428 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
SCHEMBL252459 1.00 IDO1 (0.38) IDO1KDM4ENPC1NPSR1GAA
SCHEMBL253090 0.84 ADORA1 (0.41) IDO1KDM4ENPC1NPSR1GAA
SCHEMBL251675 0.80 HPGD (0.38) KDM4ENPC1NPSR1HTTKMT2A
SCHEMBL251676 0.80 HPGD (0.38) KDM4ENPC1NPSR1HTTKMT2A
SCHEMBL248096 0.79 KDM4E (0.42) IDO1KDM4ENPC1NPSR1GAA
SCHEMBL20072410 0.77 PIK3CD (0.41) IDO1KDM4ENPC1NPSR1GAA
SCHEMBL16585129 0.77 PIK3CD (0.53) LMNAMAPK14LIMK1LIMK2PIK3CD
SCHEMBL20067852 0.77 PIK3CD (0.49) KDM4ENPC1GAAMAPTLMNA
SCHEMBL15302917 0.77 PIK3CD (0.49) KDM4ENPC1GAAMAPTLMNA
SCHEMBL4182569 0.77 PIK3CD (0.53) LMNAMAPK14LIMK1LIMK2PIK3CD

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8759371-B2 Heterocyclic compounds and their uses AMGEN INC. (US) 2014-06-24 US disclosed
EP-2588468-B1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS INHIBITORS OF PI3K ACTIVITY AMGEN INC (US) 2014-03-26 EP disclosed
EP-2588468-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS INHIBITORS OF PI3K ACTIVITY Amgen Inc. (US) 2013-05-08 EP disclosed
US-20130085151-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC (US) 2013-04-04 US disclosed
WO-2012003262-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS INHIBITORS OF PI3K ACTIVITY AMGEN INC. (US) 2012-01-05 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-20130085151-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES MCL1, MALT1, BCL9 IDO1 165/4885KDM4E 1436/4885NPC1 4528/4885

“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.