SCHEMBL909905

SCHEMBL909905

O=c1cc(C2CNCCO2)nc2c(OCc3cccnc3)cccn12

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.38
SLC6A4 P31645 1/20 0.38
PRKDC P78527 4/20 0.38
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
AKT1 P31749 1/20 0.38
PIK3CA P42336 1/20 0.37
EGFR P00533 1/20 0.37
ERBB2 P04626 1/20 0.37
PIM1 P11309 1/20 0.37
PIM2 Q9P1W9 1/20 0.37
CHRM2 P08172 2/20 0.36
CHRM1 P11229 2/20 0.36
CHRNB2 P17787 2/20 0.36
CHRM3 P20309 2/20 0.36
CHRNA4 P43681 2/20 0.36
HTR1A P08908 1/20 0.36
DRD2 P14416 1/20 0.36

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
SCHEMBL4413939 0.83 PRKDC (0.40) PRKDCEGFRERBB2CHRM2CHRM1
SCHEMBL909907 0.75 PIK3CA (0.64) PRKDCAKT1PIK3CA
SCHEMBL4413879 0.73 MCHR1 (0.47)
SCHEMBL4805419 0.72 MCHR1 (0.39) PRKDC
SCHEMBL4544194 0.71 PRKDC (0.47) PRKDCPIM1PIM2DRD2
SCHEMBL4417228 0.70 GRM5 (0.46)
SCHEMBL4422985 0.69 ADORA3 (0.42) PRKDC
SCHEMBL4415583 0.68 MCHR1 (0.43) PRKDC
SCHEMBL4414010 0.68 MCHR1 (0.42)
SCHEMBL4410817 0.67 DRD2 (0.46) DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4646626-B2 2011-03-09 JP claimed
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 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
WO-2004016607-A1 INHIBITION OF PHOSPHOINOSITIDE 3-KINASE BETA KINACIA PTY LTD. (AU) 2004-02-26 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-20080319021-A1 Inhibition Of Phosphoinositide 3-Kinase Beta KINACIA PTY. LTD. (AU) 2008-12-25 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

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-20080319021-A1 Inhibition Of Phosphoinositide 3-Kinase Beta PI4KB, PI4KA, PI4K2B HTR6 4181/4885SLC6A4 4453/4885PRKDC 80/4885
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 HTR6 2881/4885SLC6A4 4131/4885PRKDC 84/4885
US-20130102595-A1 TREATMENT OF CANCERS HAVING K-RAS MUTATIONS KRAS, HRAS, KSR2 HTR6 4633/4885SLC6A4 4655/4885PRKDC 331/4885

“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.