SCHEMBL910153

SCHEMBL910153

O=c1cc(N2CCOCC2)oc2c(OCc3ccccc3)cccc12

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 12/20 0.84
P2RY12 Q9H244 6/20 0.76
PIK3CG P48736 2/20 0.62
KDM4E B2RXH2 2/20 0.61
ALDH1A1 P00352 2/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
PIK3R1 P27986 2/20 0.61
PIK3CA P42336 2/20 0.61
MTOR P42345 2/20 0.61
PIK3CD O00329 1/20 0.61
PDE2A O00408 1/20 0.61
PIK3C2A O00443 1/20 0.61
PIK3R2 O00459 1/20 0.61
PIK3C2B O00750 1/20 0.61
BRD4 O60885 1/20 0.61
PDE5A O76074 1/20 0.61
TP53 P04637 1/20 0.61
CYP1A2 P05177 1/20 0.61
CYP3A4 P08684 1/20 0.61
CYP2D6 P10635 1/20 0.61

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
SCHEMBL7318138 0.95 PRKDC (0.77) PRKDCP2RY12PIK3CGATM
SCHEMBL7327041 0.90 PRKDC (0.70) PRKDCP2RY12
SCHEMBL7319771 0.90 PRKDC (0.70) PRKDCP2RY12PIK3CGKDM4EALDH1A1
SCHEMBL7317064 0.89 PRKDC (0.68) PRKDCP2RY12PIK3CGKDM4EALDH1A1
SCHEMBL7328209 0.89 P2RY12 (0.77) PRKDCP2RY12PIK3CD
SCHEMBL7327201 0.88 PRKDC (0.67) PRKDCP2RY12
SCHEMBL30313648 0.88 P2RY12 (0.78) PRKDCP2RY12PIK3CGPIK3CAPIK3CD
SCHEMBL6362810 0.88 P2RY12 (0.78) PRKDCP2RY12PIK3CGPIK3CAPIK3CD
SCHEMBL7320699 0.88 PRKDC (0.70) PRKDCP2RY12
SCHEMBL7324488 0.88 PRKDC (0.67) PRKDCP2RY12

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4646626-B2 2011-03-09 JP claimed
JP-2006500361-A 2006-01-05 JP claimed
EP-1537102-A1 INHIBITION OF PHSPHOINOSTIDE 3-DINASE BETA Kinacia Pty Ltd. (AU) 2005-06-08 EP claimed
US-20050085471-A1 Therapeutic morpholino-substituted compounds KINACIA PTY LTD. 2005-04-21 US claimed
WO-2004016607-A1 INHIBITION OF PHOSPHOINOSITIDE 3-KINASE BETA KINACIA PTY LTD. (AU) 2004-02-26 WO claimed
US-5703075-A Antiatherosclerotic and antithrombotic 1-benzopyran-4-ones and 2-amino-1,3-benzoxazine-4-ones PHARMACIA & UPJOHN COMPANY (US) 1997-12-30 US claimed
EP-0459983-A1 ANTIATHEROSCLEROTIC AND ANTITHROMBOTIC 1-BENZOPYRAN-4-ONES AND 2-AMINO-1,3-BENZOXAZINE-4-ONES PHARMACIA & UPJOHN COMPANY (US) 1991-12-11 EP claimed
WO-1990006921-A1 ANTIATHEROSCLEROTIC AND ANTITHROMBOTIC 1-BENZOPYRAN-4-ONES AND 2-AMINO-1,3-BENZOXAZINE-4-ONES THE UPJOHN COMPANY (US) 1990-06-28 WO claimed
US-20130102595-A1 TREATMENT OF CANCERS HAVING K-RAS MUTATIONS CURIS, INC. 2013-04-25 US disclosed
EP-2557923-A1 TREATMENT OF CANCERS HAVING K-RAS MUTATIONS Curis, Inc. (US) 2013-02-20 EP disclosed
WO-2011130628-A1 TREATMENT OF CANCERS HAVING K-RAS MUTATIONS CURIS, INC. (US) 2011-10-20 WO disclosed
US-7872011-B2 Inhibition of phosphoinositide 3-kinase β ASTRAZENECA AB (SE) 2011-01-18 US disclosed
US-7598377-B2 (+-)-7-Methyl-2-morpholin-4-yl-9-(1-phenylaminoethyl)-pyrido[1,2-a]pyrimidin-4-one, for example; selective inhibitors of phosphoinositide (PI) 3-kinase beta for use in anti-thrombotic therapy ASTRAZENECA AB (SE) 2009-10-06 US disclosed
US-7572791-B2 Therapeutic morpholino-substituted compounds ASTRAZENECA AB (SE) 2009-08-11 US disclosed
US-20060276470-A1 (+-)-7-Methyl-2-morpholin-4-yl-9-(1-phenylaminoethyl)-pyrido[1,2-a]pyrimidin-4-one, for example; selective inhibitors of phosphoinositide (PI) 3-kinase beta for use in anti-thrombotic therapy ASTRAZENECA AB (SE) 2006-12-07 US disclosed
EP-1537102-A1 INHIBITION OF PHSPHOINOSTIDE 3-DINASE BETA Kinacia Pty Ltd. (AU) 2005-06-08 EP disclosed
WO-2004016607-A1 INHIBITION OF PHOSPHOINOSITIDE 3-KINASE BETA KINACIA PTY LTD. (AU) 2004-02-26 WO disclosed
US-5703075-A Antiatherosclerotic and antithrombotic 1-benzopyran-4-ones and 2-amino-1,3-benzoxazine-4-ones PHARMACIA & UPJOHN COMPANY (US) 1997-12-30 US disclosed
EP-0459983-A1 ANTIATHEROSCLEROTIC AND ANTITHROMBOTIC 1-BENZOPYRAN-4-ONES AND 2-AMINO-1,3-BENZOXAZINE-4-ONES PHARMACIA & UPJOHN COMPANY (US) 1991-12-11 EP disclosed
WO-1990006921-A1 ANTIATHEROSCLEROTIC AND ANTITHROMBOTIC 1-BENZOPYRAN-4-ONES AND 2-AMINO-1,3-BENZOXAZINE-4-ONES THE UPJOHN COMPANY (US) 1990-06-28 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 (3 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-20050085471-A1 Therapeutic morpholino-substituted compounds PIK3CA, PTK2, PDPK1 PRKDC 1024/4885P2RY12 629/4885PIK3CG 17/4885
US-20060276470-A1 (+-)-7-Methyl-2-morpholin-4-yl-9-(1-phenylaminoethyl)-pyrido[1,2-a]pyrimidin-4-one, for example; selective inhibitors of phosphoinositide (PI) 3-kinase beta for use in anti-thrombotic therapy PI4KA, PI4KB, PI4K2B PRKDC 84/4885P2RY12 969/4885PIK3CG 13/4885
US-20130102595-A1 TREATMENT OF CANCERS HAVING K-RAS MUTATIONS KRAS, HRAS, KSR2 PRKDC 331/4885P2RY12 4703/4885PIK3CG 198/4885

“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.