SCHEMBL248096

SCHEMBL248096

Cc1cc2cc([C@H](C)N)c(-c3ccccn3)nc2s1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.42
NPC1 O15118 2/20 0.42
PIK3CD O00329 2/20 0.39
TGFBR1 P36897 5/20 0.36
GLA P06280 1/20 0.35
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35
PDE10A Q9Y233 1/20 0.35
IKBKB O14920 1/20 0.34
TRPM8 Q7Z2W7 1/20 0.34
IDO1 P14902 1/20 0.33
MITF O75030 1/20 0.33
GAA P10253 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TDP1 Q9NUW8 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
SCHEMBL248608 0.81 KDM4E (0.40) KDM4ENPC1PIK3CDGLAPDE10A
SCHEMBL246126 0.79 IDO1 (0.38) KDM4ENPC1PIK3CDMAPTIKBKB
SCHEMBL252459 0.79 IDO1 (0.38) KDM4ENPC1PIK3CDMAPTIKBKB
SCHEMBL248097 0.76 NPC1 (0.41) KDM4ENPC1TGFBR1GLAMAPT
SCHEMBL253671 0.76 PIK3CD (0.50) PIK3CD
SCHEMBL20072407 0.72 PIK3CD (0.48) KDM4ENPC1PIK3CDRAB9ANPSR1
SCHEMBL15303724 0.72 PIK3CD (0.57) KDM4ENPC1PIK3CD
SCHEMBL22476054 0.72 PIK3CD (0.47) KDM4ENPC1PIK3CDTGFBR1RAB9A
SCHEMBL17240978 0.72 PIK3CD (0.57) KDM4ENPC1PIK3CD
SCHEMBL16585318 0.72 PIK3CD (0.64) KDM4ENPC1PIK3CDTGFBR1GLA

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 4528/4885PIK3CD 24/4885

“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.