SCHEMBL910079

SCHEMBL910079

O=c1cc(-c2ccncc2)oc2c(O)cccc12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 8/20 0.64
CYP1A1 P04798 7/20 0.64
CYP1B1 Q16678 7/20 0.64
CFTR P13569 2/20 0.64
POLB P06746 1/20 0.64
QPCT Q16769 1/20 0.56
CYP19A1 P11511 4/20 0.54
CYP3A4 P08684 5/20 0.54
KDM4E B2RXH2 4/20 0.54
TERT O14746 3/20 0.54
ALDH1A1 P00352 3/20 0.54
TP53 P04637 3/20 0.54
MAPT P10636 3/20 0.54
HPGD P15428 3/20 0.54
MAPK1 P28482 3/20 0.54
HSD17B10 Q99714 3/20 0.54
ALOX15 P16050 2/20 0.54
KMT2A Q03164 2/20 0.54
MEN1 O00255 1/20 0.54
IKBKB O14920 1/20 0.54

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
SCHEMBL8934600 0.86 CYP19A1 (0.70) CYP1A2CYP1A1CYP1B1CYP19A1CYP3A4
SCHEMBL311865 0.85 TERT (0.68) CYP1A2CYP1A1CYP1B1POLBQPCT
SCHEMBL25260798 0.82 CYP1A2 (0.64) CYP1A2CYP1A1CYP1B1CFTRPOLB
SCHEMBL909747 0.82 CYP1A2 (0.64) CYP1A2CYP1A1CYP1B1CFTRPOLB
SCHEMBL30461668 0.82 CYP1A2 (0.64) CYP1A2CYP1A1CYP1B1CFTRPOLB
SCHEMBL3698440 0.82 CYSLTR1 (0.67) CYP1A2CYP1A1CYP1B1CFTRPOLB
SCHEMBL30623128 0.81 TERT (0.71) CYP1A2CYP1A1CYP1B1CYP19A1CYP3A4
SCHEMBL8291485 0.80 CYP1A1 (0.49) CYP1A2CYP1A1CYP1B1CFTRPOLB
SCHEMBL312103 0.79 CYP19A1 (0.48) CYP1A2CYP1A1CYP1B1CYP19A1CYP3A4
SCHEMBL7087329 0.79 CYP1A2 (0.56) CYP1A2CYP1A1CYP1B1CFTRPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (2 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 CYP1A2 4298/4885CYP1A1 4600/4885CYP1B1 3709/4885
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 CYP1A2 3026/4885CYP1A1 3424/4885CYP1B1 1653/4885

“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.