SCHEMBL253090

SCHEMBL253090

CC(c1cc2ccsc2nc1-c1ccccn1)N1C(=O)c2ccccc2C1=O

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 5/20 0.41
KRAS P01116 1/20 0.37
ADORA2A P29274 3/20 0.36
GCK P35557 1/20 0.36
IDO1 P14902 1/20 0.36
LMNA P02545 1/20 0.34
KDM4E B2RXH2 1/20 0.34
NPC1 O15118 1/20 0.34
BRD4 O60885 1/20 0.33
MET P08581 1/20 0.33
POLB P06746 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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 0.84 IDO1 (0.38) ADORA1IDO1LMNAKDM4ENPC1
SCHEMBL246126 0.84 IDO1 (0.38) ADORA1IDO1LMNAKDM4ENPC1
SCHEMBL252434 0.79 LMNA (0.36) GCKLMNANPC1GAAMAPT
SCHEMBL252433 0.79 LMNA (0.36) GCKLMNANPC1GAAMAPT
SCHEMBL248608 0.79 KDM4E (0.40) ADORA1KRASADORA2ALMNAKDM4E
SCHEMBL16585129 0.77 PIK3CD (0.53) LMNA
SCHEMBL20067852 0.77 PIK3CD (0.49) LMNAKDM4ENPC1GAAMAPT
SCHEMBL4182569 0.77 PIK3CD (0.53) LMNA
SCHEMBL15302917 0.77 PIK3CD (0.49) LMNAKDM4ENPC1GAAMAPT
SCHEMBL20072410 0.76 PIK3CD (0.41) IDO1KDM4ENPC1POLBGAA

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 11 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
US-8759371-B2 Heterocyclic compounds and their uses AMGEN INC. (US) 2014-06-24 US disclosed
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-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
US-20130085151-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC (US) 2013-04-04 US 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
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 ADORA1 3485/4885KRAS 659/4885ADORA2A 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.