SCHEMBL2710902

SCHEMBL2710902

CC(C)C(=O)Nc1cc(N)cc(N2CCOCC2)c1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.51
ALDH1A1 P00352 4/20 0.51
NPSR1 Q6W5P4 1/20 0.51
RECQL P46063 1/20 0.48
TSHR P16473 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.44
KDM4E B2RXH2 1/20 0.44
GAA P10253 1/20 0.44
PIK3CA P42336 4/20 0.44
AKT1 P31749 3/20 0.44
LMNA P02545 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HDAC1 Q13547 1/20 0.42
MTOR P42345 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL2711187 0.85 AKT1 (0.52) MAPTALDH1A1SMN1; SMN2KDM4EGAA
SCHEMBL19392315 0.80 MAPT (0.77) MAPTALDH1A1NPSR1RECQLTSHR
SCHEMBL2711047 0.80 MAPT (0.50) MAPTALDH1A1NPSR1RECQLSMN1; SMN2
SCHEMBL2713657 0.80 ALDH1A1 (0.60) MAPTALDH1A1TSHRSMN1; SMN2KDM4E
SCHEMBL3078788 0.76 KMT2A (0.56) MAPTALDH1A1NPSR1SMN1; SMN2KDM4E
SCHEMBL1172318 0.74 MET (0.45) MAPTRECQLTSHRPIK3CAAKT1
SCHEMBL1571155 0.73 LGMN (0.40) MAPTALDH1A1SMN1; SMN2KDM4EGAA
SCHEMBL1172028 0.73 LGMN (0.53) MAPTALDH1A1SMN1; SMN2KDM4EGAA
SCHEMBL2712064 0.73 LGMN (0.53) MAPTALDH1A1SMN1; SMN2KDM4EGAA
SCHEMBL2712184 0.71 MRGPRX4 (0.49) MAPTALDH1A1TSHRSMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2445886-B1 4-AMINOQUINOLINE DERIVATIVES AS PI3K INHIBITORS AMGEN INC (US) 2016-03-30 EP disclosed
EP-2445886-B1 4-AMINOQUINOLINE DERIVATIVES AS PI3K INHIBITORS AMGEN INC (US) 2016-03-30 EP disclosed
US-8940724-B2 Quinoline derivitives and their uses AMGEN INC. (US) 2015-01-27 US disclosed
US-8940724-B2 Quinoline derivitives and their uses AMGEN INC. (US) 2015-01-27 US disclosed
CN-102625799-A Heterocyclic compounds and their uses AMGEN INC 2012-08-01 CN disclosed
EP-2445886-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES Amgen, Inc (US) 2012-05-02 EP disclosed
US-20100331293-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2010-12-30 US disclosed
US-20100331293-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2010-12-30 US disclosed
WO-2010151791-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2010-12-29 WO disclosed
WO-2010151791-A1 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-20100331293-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES MCL1, MALT1, BCL9 MAPT 3291/4885ALDH1A1 4025/4885NPSR1 3073/4885

“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.