SCHEMBL909804

SCHEMBL909804

O=c1cc(-c2ccncc2)[nH]c2c(Oc3ccccc3)cccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.48
ADORA1 P30542 2/20 0.48
BRD4 O60885 1/20 0.45
CYP1A1 P04798 2/20 0.45
CYP1A2 P05177 2/20 0.45
CYP1B1 Q16678 2/20 0.45
KDM4E B2RXH2 3/20 0.43
LMNA P02545 3/20 0.43
HPGD P15428 3/20 0.43
CTSV O60911 2/20 0.43
CTSL P07711 2/20 0.43
TUBB4A P04350 1/20 0.43
TP53 P04637 1/20 0.43
TUBB P07437 1/20 0.43
TUBA3C P0DPH7 1/20 0.43
TUBA1B P68363 1/20 0.43
TUBA4A P68366 1/20 0.43
TUBB4B P68371 1/20 0.43
TUBB3 Q13509 1/20 0.43
TUBB2A Q13885 1/20 0.43

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
SCHEMBL909732 0.83 CYP1A1 (0.56) CYP1A1CYP1A2CYP1B1KDM4ELMNA
SCHEMBL910375 0.79 PIK3CD (0.56) ADORA2AADORA1CYP1A1CYP1A2CYP1B1
SCHEMBL910231 0.79 ADORA2A (0.52) ADORA2AADORA1KDM4ELMNAHPGD
SCHEMBL909729 0.76 ADORA2A (0.44) ADORA2AADORA1CYP1A1CYP1A2CYP1B1
SCHEMBL6534525 0.76 CYP1A1 (0.60) ADORA2AADORA1CYP1A1CYP1A2CYP1B1
SCHEMBL910216 0.76 IMPDH2 (0.49) ADORA2AADORA1CYP1A1CYP1A2CYP1B1
SCHEMBL910010 0.75 PIK3CG (0.51) ADORA2AADORA1KDM4ELMNAHPGD
SCHEMBL910034 0.74 CDC7 (0.44) ADORA2AADORA1CYP1A1CYP1A2CYP1B1
SCHEMBL6001723 0.72 CTSV (0.75) KDM4ELMNAHPGDCTSVCTSL
SCHEMBL910115 0.72 PARP1 (0.49) ADORA2AADORA1CDC7

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 5 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
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 ADORA2A 3183/4885ADORA1 3599/4885BRD4 1295/4885

“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.