SCHEMBL248608

SCHEMBL248608

CC(N)c1cc2ccsc2nc1-c1ccccn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.40
NPC1 O15118 1/20 0.40
ADORA1 P30542 5/20 0.40
ADORA2A P29274 3/20 0.40
KRAS P01116 1/20 0.38
PIK3CD O00329 5/20 0.37
PDE10A Q9Y233 1/20 0.35
TRPM8 Q7Z2W7 1/20 0.34
HCRTR1 O43613 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GLA P06280 1/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HTT P42858 1/20 0.34
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
POLB P06746 1/20 0.33
CCR1 P32246 1/20 0.33
CCR5 P51681 1/20 0.33

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
SCHEMBL248096 0.81 KDM4E (0.42) KDM4ENPC1PIK3CDPDE10ATRPM8
SCHEMBL253090 0.79 ADORA1 (0.41) KDM4ENPC1ADORA1ADORA2AKRAS
SCHEMBL14815568 0.75 PIK3CD (0.51) PIK3CD
SCHEMBL248609 0.74 ADORA1 (0.40) KDM4ENPC1ADORA1ADORA2AKRAS
SCHEMBL16585318 0.73 PIK3CD (0.64) KDM4ENPC1ADORA1ADORA2APIK3CD
SCHEMBL19344351 0.73 PIK3CD (0.47) KDM4ENPC1PIK3CDALDH1A1SMN1; SMN2
SCHEMBL3385624 0.73 ADORA2A (0.40) KDM4EADORA1ADORA2APIK3CDTRPM8
SCHEMBL22476054 0.73 PIK3CD (0.47) KDM4ENPC1PIK3CDALDH1A1SMN1; SMN2
SCHEMBL15303724 0.73 PIK3CD (0.57) KDM4ENPC1PIK3CDMETAP1
SCHEMBL17240978 0.73 PIK3CD (0.57) KDM4ENPC1PIK3CDMETAP1

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 KDM4E 1436/4885NPC1 4528/4885ADORA1 3485/4885

“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.