SCHEMBL2657700

SCHEMBL2657700

COc1ccnc(B(O)O)c1B(O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 2/20 0.39
ORAI1 Q96D31 1/20 0.38
ORAI2 Q96SN7 1/20 0.38
ORAI3 Q9BRQ5 1/20 0.38
IKBKB O14920 1/20 0.36
PLAU P00749 1/20 0.35
PDGFRB P09619 2/20 0.34
PDGFRA P16234 2/20 0.34
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CCNT1 O60563 2/20 0.32
CCNA2 P20248 2/20 0.32
CDK2 P24941 2/20 0.32
CDK9 P50750 2/20 0.32
CCNA1 P78396 2/20 0.32
CDK5 Q00535 2/20 0.32
CDK5R1 Q15078 2/20 0.32
NSD2 O96028 1/20 0.32
CASP6 P55212 1/20 0.32
G6PD P11413 1/20 0.32

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
SCHEMBL4702995 0.85 ENPP2 (0.39) ENPP2ORAI1ORAI2ORAI3IKBKB
SCHEMBL29956241 0.81 ENPP2 (0.39) ENPP2ORAI1ORAI2ORAI3IKBKB
SCHEMBL5039573 0.81 ENPP2 (0.39) ENPP2ORAI1ORAI2ORAI3IKBKB
SCHEMBL31016790 0.79 ENPP2 (0.38) ENPP2ORAI1ORAI2ORAI3IKBKB
SCHEMBL29954004 0.79 ENPP2 (0.38) ENPP2ORAI1ORAI2ORAI3IKBKB
SCHEMBL29953746 0.79 ENPP2 (0.38) ENPP2ORAI1ORAI2ORAI3IKBKB
SCHEMBL4704071 0.78 ENPP2 (0.50) ENPP2ORAI1ORAI2ORAI3PLAU
SCHEMBL29954565 0.78 ENPP2 (0.50) ENPP2ORAI1ORAI2ORAI3PLAU
SCHEMBL29864602 0.74 GRM1 (0.34) ENPP2ORAI1ORAI2ORAI3IKBKB
SCHEMBL176249 0.73 ALDH1A1 (0.47) ENPP2ORAI1ORAI2ORAI3CDK5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2176263-A2 FUSED QUINOLINE DERIVATIVES USEFUL AS GABA MODULATORS AstraZeneca AB (SE) 2010-04-21 EP disclosed
US-20080318943-A1 Compounds and Uses Thereof - 848 ASTRAZENECA AB (SE) 2008-12-25 US disclosed
WO-2008155572-A2 FUSED QUINOLINE DERIVATIVES USEFUL AS GABA MODULATORS ASTRAZENECA AB (SE) 2008-12-24 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-20080318943-A1 Compounds and Uses Thereof - 848 COMT, BACE1, BDNF ENPP2 1996/4885ORAI1 4828/4885ORAI2 4885/4885

“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.