SCHEMBL910231

SCHEMBL910231

O=c1cc(-c2ccncc2)[nH]c2c(-c3ccccc3)cccc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.52
ADORA1 P30542 1/20 0.52
KDM4E B2RXH2 1/20 0.51
CTSV O60911 1/20 0.51
LMNA P02545 1/20 0.51
TUBB4A P04350 1/20 0.51
TP53 P04637 1/20 0.51
TUBB P07437 1/20 0.51
CTSL P07711 1/20 0.51
TUBA3C P0DPH7 1/20 0.51
HPGD P15428 1/20 0.51
TUBA1B P68363 1/20 0.51
TUBA4A P68366 1/20 0.51
TUBB4B P68371 1/20 0.51
TUBB3 Q13509 1/20 0.51
TUBB2A Q13885 1/20 0.51
TUBB8 Q3ZCM7 1/20 0.51
TUBA3E Q6PEY2 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
TUBA1A Q71U36 1/20 0.51

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
SCHEMBL910034 0.86 CDC7 (0.44) ADORA2AADORA1KDM4ECTSVLMNA
SCHEMBL910216 0.80 IMPDH2 (0.49) ADORA2AADORA1KDM4ECTSVLMNA
SCHEMBL909729 0.80 ADORA2A (0.44) ADORA2AADORA1KDM4ECTSVLMNA
SCHEMBL910010 0.79 PIK3CG (0.51) ADORA2AADORA1KDM4ECTSVLMNA
SCHEMBL909804 0.79 ADORA2A (0.48) ADORA2AADORA1KDM4ECTSVLMNA
SCHEMBL909732 0.77 CYP1A1 (0.56) KDM4ELMNAHPGDCDC7GCGR
SCHEMBL6001723 0.76 CTSV (0.75) KDM4ECTSVLMNATUBB4ATP53
SCHEMBL910115 0.76 PARP1 (0.49) ADORA2AADORA1CDC7
SCHEMBL9974636 0.75 LMNA (0.62) ADORA2AADORA1KDM4ECTSVLMNA
SCHEMBL8809899 0.72 DHODH (0.62) ADORA2AADORA1KDM4ECTSVLMNA

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-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
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
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 (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 ADORA2A 3183/4885ADORA1 3599/4885KDM4E 2002/4885
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 ADORA2A 2329/4885ADORA1 2677/4885KDM4E 1008/4885

“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.