SCHEMBL910034

SCHEMBL910034

O=c1cc(-c2ccncc2)[nH]c2c(-c3cccc4ccccc34)cccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 1/20 0.44
ADORA2A P29274 1/20 0.44
ADORA1 P30542 1/20 0.44
CYP1A1 P04798 1/20 0.43
CYP1A2 P05177 1/20 0.43
POLB P06746 1/20 0.43
CFTR P13569 1/20 0.43
CYP1B1 Q16678 1/20 0.43
KDM4E B2RXH2 3/20 0.43
LMNA P02545 2/20 0.43
HPGD P15428 2/20 0.43
HSD17B10 Q99714 2/20 0.43
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CTSV O60911 1/20 0.42
TUBB4A P04350 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
SCHEMBL910231 0.86 ADORA2A (0.52) CDC7ADORA2AADORA1KDM4ELMNA
SCHEMBL910216 0.78 IMPDH2 (0.49) CDC7ADORA2AADORA1CYP1A1CYP1A2
SCHEMBL909729 0.78 ADORA2A (0.44) CDC7ADORA2AADORA1CYP1A1CYP1A2
SCHEMBL5388025 0.77 MAPK14 (0.51) CDC7KDM4ELMNAHPGDHSD17B10
SCHEMBL909732 0.75 CYP1A1 (0.56) CDC7CYP1A1CYP1A2POLBCYP1B1
SCHEMBL910010 0.74 PIK3CG (0.51) CDC7ADORA2AADORA1KDM4ELMNA
SCHEMBL909804 0.74 ADORA2A (0.48) CDC7ADORA2AADORA1CYP1A1CYP1A2
SCHEMBL6001723 0.74 CTSV (0.75) KDM4ELMNAHPGDHSD17B10NPC1
SCHEMBL910115 0.74 PARP1 (0.49) CDC7ADORA2AADORA1NPC1MAPT
SCHEMBL22201443 0.71 ALDH1A1 (0.59) CDC7KDM4ELMNAHPGDHSD17B10

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 8 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
CN-100430389-C Inhibition of phosphoinositide 3-kinase beta KINACIA PTY LTD (SE) 2008-11-05 CN disclosed
CN-101260104-A Inhibition of phosphoinositide 3-kinase beta ASTRAZENECA AB (SE) 2008-09-10 CN disclosed
CN-1688575-A INHIBITION OF PHOSPHOINOSITIDE 3-KINASE BETA KINACIA PTY LTD (AU) 2005-10-26 CN 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 (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-20080319021-A1 Inhibition Of Phosphoinositide 3-Kinase Beta PI4KB, PI4KA, PI4K2B CDC7 188/4885ADORA2A 3183/4885ADORA1 3599/4885

“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.