SCHEMBL15055530

SCHEMBL15055530

COC(=O)c1cc(N2CCOCC2)nc(N)c1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.48
▸ KMT2A Q03164 7/20 0.47
▸ MEN1 O00255 5/20 0.47
▸ ALDH1A1 P00352 6/20 0.45
▸ MAPK1 P28482 3/20 0.45
▸ LMNA P02545 2/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ AKT1 P31749 3/20 0.44
▸ HTT P42858 2/20 0.43
▸ MCL1 Q07820 1/20 0.43
▸ PIK3CA P42336 2/20 0.42
▸ PIK3CB P42338 2/20 0.42
▸ PIK3CD O00329 1/20 0.42
▸ POLB P06746 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ APAF1 O14727 1/20 0.41
▸ NSD2 O96028 1/20 0.41
▸ GAA P10253 1/20 0.41

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
SCHEMBL15055096 0.86 PKM (0.52) MAPTKMT2AMEN1ALDH1A1MAPK1
SCHEMBL15054593 0.83 AKT1 (0.48) MAPTKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL1281613 0.79 MAPT (0.49) MAPTKMT2AMEN1ALDH1A1MAPK1
SCHEMBL19991598 0.74 MAPT (0.49) MAPTKMT2AMEN1ALDH1A1MAPK1
SCHEMBL28834778 0.73 ALDH1A1 (0.44) MAPTKMT2AMEN1ALDH1A1MAPK1
SCHEMBL27842475 0.72 ALDH1A1 (0.54) MAPTKMT2AMEN1ALDH1A1MAPK1
SCHEMBL15055502 0.72 AKT1 (0.48) MAPTKMT2AMEN1ALDH1A1MAPK1
SCHEMBL18919613 0.72 CYP1A2 (0.50) MAPTKMT2AMEN1ALDH1A1MAPK1
SCHEMBL1505634 0.72 PIK3CB (0.47) MAPTKMT2AMEN1ALDH1A1MAPK1
SCHEMBL5008170 0.72 ALDH1A1 (0.51) MAPTKMT2AMEN1ALDH1A1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8906910-B2 Imidazopyridine derivatives as PI3 kinase GLAXOSMITHKLINE LLC (US) 2014-12-09 — — US disclosed
US-8906910-B2 Imidazopyridine derivatives as PI3 kinase GLAXOSMITHKLINE LLC (US) 2014-12-09 — — US disclosed
US-8906910-B2 Imidazopyridine derivatives as PI3 kinase GLAXOSMITHKLINE LLC (US) 2014-12-09 — — US disclosed
US-20140323480-A1 Imidazopyridine Derivatives As PI3 Kinase Glaxo Smith Kline LLC a corporation 2014-10-30 — — US disclosed
US-20140323480-A1 Imidazopyridine Derivatives As PI3 Kinase Glaxo Smith Kline LLC a corporation 2014-10-30 — — US disclosed
US-20140323480-A1 Imidazopyridine Derivatives As PI3 Kinase Glaxo Smith Kline LLC a corporation 2014-10-30 — — US disclosed
WO-2013095761-A1 IMIDAZOPYRIDINE DERIVATIVES AS PI3 KINASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2013-06-27 — — WO disclosed
WO-2013095761-A1 IMIDAZOPYRIDINE DERIVATIVES AS PI3 KINASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2013-06-27 — — 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-20140323480-A1 Imidazopyridine Derivatives As PI3 Kinase PIK3CD, PI4KA, PIK3CG MAPT 4080/4885KMT2A 3177/4885MEN1 3530/4885

“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.

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