SCHEMBL1054326

SCHEMBL1054326

CC(C)(C)OC(=O)n1ccc2cc(CCN3CCOCC3)ccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 2/20 0.43
▸ AKT1 P31749 1/20 0.42
▸ CD274 Q9NZQ7 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.39
▸ BRD4 O60885 1/20 0.39
▸ USP2 O75604 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ PIK3CD O00329 2/20 0.38
▸ ABL1 P00519 2/20 0.38
▸ EGFR P00533 2/20 0.38
▸ HCK P08631 2/20 0.38
▸ SRC P12931 2/20 0.38
▸ KDR P35968 2/20 0.38
▸ PIK3CA P42336 2/20 0.38
▸ PIK3CB P42338 2/20 0.38
▸ MTOR P42345 2/20 0.38
▸ PIK3CG P48736 2/20 0.38
▸ EPHB4 P54760 2/20 0.38
▸ PRKDC P78527 2/20 0.38
▸ PI4KB Q9UBF8 2/20 0.38

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
SCHEMBL1051369 0.92 SIGMAR1 (0.43) SIGMAR1AKT1CD274KDM4EBRD4
SCHEMBL3034095 0.83 BRD4 (0.52) KDM4EBRD4SMN1; SMN2
SCHEMBL5480120 0.82 HRH3 (0.50) SIGMAR1BRD4USP2TLR9TLR7
SCHEMBL1056456 0.81 NR1H2 (0.46) PIK3CDABL1EGFRHCKSRC
SCHEMBL10820368 0.81 OXER1 (0.48) PIK3CDABL1EGFRHCKSRC
SCHEMBL3043656 0.80 PKM (0.48) PIK3CDABL1EGFRHCKSRC
SCHEMBL31370744 0.79 NR1H2 (0.45) PIK3CDABL1EGFRHCKSRC
SCHEMBL6255808 0.79 BRD4 (0.40) AKT1CD274KDM4EBRD4USP2
SCHEMBL10819613 0.79 PIK3CD (0.44) PIK3CDABL1EGFRHCKSRC
Morpholine SCHEMBL5813690 0.79 AKT1 (0.40) AKT1USP2SMN1; SMN2PIK3CDABL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8691814-B2 Deazapurines and uses thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2014-04-08 — — US disclosed
US-20110105427-A1 DEAZAPURINES AND USES THEREOF DAUN JANE 2011-05-05 — — US disclosed
US-7868002-B2 Deazapurines and uses thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-01-11 — — US disclosed
EP-1474425-B9 DEAZAPURINES AND USES THEREOF EISAI CO LTD (JP) 2008-07-02 — — EP disclosed
US-20080103137-A1 Deazapurines and uses thereof EISAI CO., LTD. 2008-05-01 — — US disclosed
US-7314936-B2 Deazapurines and uses thereof EISAI CO., LTD. (JP) 2008-01-01 — — US disclosed
EP-1707566-A1 Deazapurines and uses thereof Eisai Co., Ltd. (JP) 2006-10-04 — — EP disclosed
EP-1474425-B1 DEAZAPURINES AND USES THEREOF EISAI CO LTD (JP) 2006-05-24 — — EP disclosed
US-20050124649-A1 Deazapurines and uses thereof EISAI CO., LTD (JP) 2005-06-09 — — US disclosed
EP-1474425-A1 DEAZAPURINES AND USES THEREOF Eisai Co. Ltd. (JP) 2004-11-10 — — EP disclosed
US-20040186127-A1 Novel deazapurines and uses thereof EISAI CO., LTD. (JP) 2004-09-23 — — US disclosed
WO-2003057696-A1 DEAZAPURINES AND USES THEREOF EISAI CO. LTD. (JP) 2003-07-17 — — 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 (4 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-20110105427-A1 DEAZAPURINES AND USES THEREOF TPMT, CD38, CD2 SIGMAR1 3124/4885AKT1 713/4885CD274 53/4885
US-20050124649-A1 Deazapurines and uses thereof TPMT, CD38, CD2 SIGMAR1 3215/4885AKT1 748/4885CD274 54/4885
US-20080103137-A1 Deazapurines and uses thereof TPMT, TYMP, ENTPD5 SIGMAR1 4380/4885AKT1 3760/4885CD274 1468/4885
US-20040186127-A1 Novel deazapurines and uses thereof TPMT, ENTPD5, MTAP SIGMAR1 3333/4885AKT1 1554/4885CD274 2160/4885

“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.

Send feedback