SCHEMBL15054593

SCHEMBL15054593

COC(=O)c1cc(N2CCOCC2)nc(N)c1N

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKT1 P31749 3/20 0.48
▸ ALDH1A1 P00352 3/20 0.48
▸ IKBKB O14920 1/20 0.47
▸ PIK3CA P42336 2/20 0.47
▸ PIK3CB P42338 2/20 0.47
▸ CRHBP P24387 1/20 0.46
▸ CRHR2 Q13324 1/20 0.46
▸ PKM P14618 2/20 0.45
▸ MEN1 O00255 5/20 0.45
▸ KMT2A Q03164 5/20 0.45
▸ APAF1 O14727 1/20 0.45
▸ NPC1 O15118 1/20 0.45
▸ TDP2 O95551 1/20 0.45
▸ NSD2 O96028 1/20 0.45
▸ PLA2G1B P04054 1/20 0.45
▸ HSP90AA1 P07900 1/20 0.45
▸ PLCG1 P19174 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ GALK1 P51570 1/20 0.45
▸ BLM P54132 1/20 0.45

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
SCHEMBL15055530 0.83 MAPT (0.48) AKT1ALDH1A1PIK3CAPIK3CBMEN1
SCHEMBL1505634 0.77 PIK3CB (0.47) AKT1ALDH1A1IKBKBPIK3CAPIK3CB
SCHEMBL139120 0.76 AKT1 (0.41) AKT1ALDH1A1PIK3CAPIK3CBPKM
SCHEMBL1281306 0.76 NPC1 (0.45) ALDH1A1MEN1KMT2AAPAF1NPC1
SCHEMBL15055502 0.75 AKT1 (0.48) AKT1ALDH1A1PIK3CAPIK3CBPKM
SCHEMBL31541762 0.74 ALDH1A1 (0.46) ALDH1A1MEN1KMT2AAPAF1NPC1
SCHEMBL13336854 0.74 KMT2A (0.57) ALDH1A1PIK3CAPIK3CBCRHBPCRHR2
SCHEMBL25771504 0.74 KMO (0.50) AKT1ALDH1A1PIK3CAPIK3CBPKM
SCHEMBL16166760 0.74 SMN1; SMN2 (0.46) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL593003 0.73 PIK3CB (0.48) AKT1ALDH1A1PIK3CAPIK3CBMEN1

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 AKT1 49/4885ALDH1A1 2259/4885IKBKB 306/4885

“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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