SCHEMBL1505634

SCHEMBL1505634

COC(=O)c1cc(N)cc(N2CCOCC2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CB P42338 3/20 0.47
▸ PIK3CA P42336 2/20 0.47
▸ CRHBP P24387 1/20 0.47
▸ CRHR2 Q13324 1/20 0.47
▸ KMT2A Q03164 3/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ POLB P06746 1/20 0.45
▸ AKT1 P31749 4/20 0.44
▸ ALDH1A1 P00352 4/20 0.44
▸ MAPT P10636 2/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ KDM4E B2RXH2 3/20 0.43
▸ GAA P10253 1/20 0.43
▸ THRB P10828 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ NQO2 P16083 1/20 0.43
▸ IKBKB O14920 1/20 0.43
▸ PIK3CD O00329 1/20 0.42
▸ ALOX15 P16050 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
SCHEMBL2133583 0.85 KDM4E (0.51) KMT2AMEN1ALDH1A1KDM4ENQO2
SCHEMBL244072 0.84 PIK3CA (0.47) PIK3CBPIK3CAKMT2AMEN1AKT1
SCHEMBL29434078 0.84 PIK3CA (0.47) PIK3CBPIK3CAKMT2AMEN1AKT1
SCHEMBL593003 0.82 PIK3CB (0.48) PIK3CBPIK3CAKMT2AMEN1AKT1
SCHEMBL5218939 0.80 PIK3CB (0.53) PIK3CBPIK3CAKMT2AMEN1ALDH1A1
SCHEMBL24358696 0.79 PIK3CA (0.52) PIK3CBPIK3CAKMT2AMEN1AKT1
SCHEMBL7016486 0.79 MEN1 (0.51) PIK3CBPIK3CAKMT2AMEN1ALDH1A1
SCHEMBL31078811 0.78 IRAK4 (0.53) PIK3CBPIK3CAAKT1ALDH1A1MAPT
SCHEMBL22849533 0.78 IRAK4 (0.53) PIK3CBPIK3CAAKT1ALDH1A1MAPT
SCHEMBL31705338 0.78 PIK3CA (0.44) PIK3CBPIK3CAKMT2AMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120101100-A1 HETEROCYCLIC UREA DERIVATIVES AND METHODS OF USE THEREOF-211 ASTRAZENECA AB (SE) 2012-04-26 — — US disclosed
US-20120101100-A1 HETEROCYCLIC UREA DERIVATIVES AND METHODS OF USE THEREOF-211 ASTRAZENECA AB (SE) 2012-04-26 — — US disclosed
US-20120101100-A1 HETEROCYCLIC UREA DERIVATIVES AND METHODS OF USE THEREOF-211 ASTRAZENECA AB (SE) 2012-04-26 — — US disclosed
CN-102015699-A Heterocyclic urea derivatives and methods of use thereof-211 ASTRAZENECA AB 2011-04-13 — — CN disclosed
WO-2011024004-A1 HETEROCYCLIC UREA DERIVATIVES USEFUL FOR TREATMENT OF BACTERIAL INFECTION ASTRAZENECA AB (SE) 2011-03-03 — — WO disclosed
WO-2011024004-A1 HETEROCYCLIC UREA DERIVATIVES USEFUL FOR TREATMENT OF BACTERIAL INFECTION ASTRAZENECA AB (SE) 2011-03-03 — — WO disclosed
EP-2262801-A1 HETEROCYCLIC UREA DERIVATIVES AND METHODS OF USE THEREOF-211 AstraZeneca AB (SE) 2010-12-22 — — EP disclosed
WO-2009106885-A1 HETEROCYCLIC UREA DERIVATIVES AND METHODS OF USE THEREOF-211 ASTRAZENECA AB (SE) 2009-09-03 — — WO disclosed
WO-2009106885-A1 HETEROCYCLIC UREA DERIVATIVES AND METHODS OF USE THEREOF-211 ASTRAZENECA AB (SE) 2009-09-03 — — 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-20120101100-A1 HETEROCYCLIC UREA DERIVATIVES AND METHODS OF USE THEREOF-211 UROD, UMPS, SLC14A1 PIK3CB 3722/4885PIK3CA 3393/4885CRHBP 3994/4885

“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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