SCHEMBL2124134

SCHEMBL2124134

O=C(O)N1CCSc2ncc(N3CCOCC3)cc21

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.40
AKR1C3 P42330 2/20 0.39
HSD11B1 P28845 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
KMO O15229 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
ALDH1A1 P00352 1/20 0.38
PIK3CA P42336 2/20 0.36
SHMT2 P34897 1/20 0.36
CYP11B2 P19099 1/20 0.36
FGFR2 P21802 1/20 0.36
FGFR3 P22607 1/20 0.36
NTRK1 P04629 1/20 0.35
NTRK2 Q16620 1/20 0.35
DHFR P00374 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
TP53 P04637 1/20 0.35
AKT1 P31749 1/20 0.35

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
SCHEMBL2123294 0.83 PIK3CA (0.45) AKR1C3L3MBTL1SMN1; SMN2ALDH1A1PIK3CA
SCHEMBL2123547 0.72 PIK3CA (0.49) PIK3CA
SCHEMBL2123342 0.69 POLB (0.36) POLBAKR1C3L3MBTL1SMN1; SMN2ALDH1A1
SCHEMBL25771647 0.67 POLB (0.49) POLBAKR1C3L3MBTL1KMOSMN1; SMN2
SCHEMBL3662022 0.66 HSD11B1 (0.77) POLBAKR1C3HSD11B1SMN1; SMN2ALDH1A1
SCHEMBL18394827 0.66 POLB (0.48) POLBAKR1C3L3MBTL1KMOSMN1; SMN2
SCHEMBL18412831 0.66 ALDH1A1 (0.46) POLBAKR1C3L3MBTL1SMN1; SMN2ALDH1A1
SCHEMBL359690 0.65 LGMN (0.56) POLBSMN1; SMN2ALDH1A1PIK3CADHFR
SCHEMBL24323744 0.65 ALDH3A1 (0.44) POLBAKR1C3L3MBTL1SMN1; SMN2ALDH1A1
SCHEMBL14993344 0.64 POLB (0.60) POLBAKR1C3TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8765940-B2 Heterocyclic compounds and their uses AMGEN INC. (US) 2014-07-01 US disclosed
EP-2445902-A2 HETEROCYCLIC COMPOUNDS AND THEIR USES AS INHIBITORS OF PI3K ACTIVITY Amgen, Inc (US) 2012-05-02 EP disclosed
US-20120094972-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2012-04-19 US disclosed
WO-2010151737-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-20120094972-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES MCL1, MALT1, BCL9 POLB 1724/4885AKR1C3 2913/4885HSD11B1 3488/4885

“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.