SCHEMBL1928290

SCHEMBL1928290

Brc1ccccc1OC1CCOC1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KAT2B Q92831 1/20 0.43
BAZ2B Q9UIF8 1/20 0.43
PDE4D Q08499 13/20 0.40
PDE4A P27815 7/20 0.40
PDE4B Q07343 7/20 0.40
PDE4C Q08493 7/20 0.40
NTRK1 P04629 1/20 0.39
NTRK3 Q16288 1/20 0.39
NTRK2 Q16620 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ERBB2 P04626 1/20 0.36
EPHA2 P29317 1/20 0.36
KDR P35968 1/20 0.36
EPHB4 P54760 1/20 0.36

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
SCHEMBL1928288 1.00 KAT2B (0.43) KAT2BBAZ2BPDE4DPDE4APDE4B
SCHEMBL1927820 1.00 KAT2B (0.43) KAT2BBAZ2BPDE4DPDE4APDE4B
SCHEMBL1929230 0.89 KAT2B (0.53) KAT2BBAZ2BPDE4DPDE4APDE4B
SCHEMBL28915688 0.85 KDM4E (0.38) KAT2BBAZ2BKDM4E
SCHEMBL263845 0.81 PDE4D (0.43) PDE4DPDE4APDE4BPDE4CNTRK1
SCHEMBL17353214 0.81 SCD (0.44) PDE4DPDE4APDE4BPDE4CNTRK1
SCHEMBL17353216 0.81 SCD (0.44) PDE4DPDE4APDE4BPDE4CNTRK1
SCHEMBL7760101 0.79 KAT2B (0.47) KAT2BBAZ2BPDE4DPDE4APDE4B
SCHEMBL3799931 0.79 KAT2B (0.43) KAT2BBAZ2BPDE4DPDE4APDE4B
SCHEMBL3801070 0.79 KAT2B (0.43) KAT2BBAZ2BPDE4DPDE4APDE4B

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-20110152234-A1 Novel Compounds ASTRAZENECA AB (SE) 2011-06-23 US disclosed
US-7956084-B2 Phenyl thiophene carboxamide compounds as inhibitors of the enzyme IKK-2 ASTRAZENECA AB (SE) 2011-06-07 US disclosed
EP-1421074-B1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2010-09-29 EP disclosed
US-20070015819-A1 Novel compounds ASTRAZENECA AB, A SWEDEN CORPORATION 2007-01-18 US disclosed
US-7125896-B2 Thiophene carboxamide compounds as inhibitors of enzyme IKK-2 ASTRAZENECA AB (SE) 2006-10-24 US disclosed
US-20040242573-A1 Novel compounds ASTRAZENECA AB (SE) 2004-12-02 US disclosed
EP-1421074-A1 NOVEL COMPOUNDS AstraZeneca AB (SE) 2004-05-26 EP disclosed
WO-2003010158-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2003-02-06 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 (3 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-20070015819-A1 Novel compounds CNR1, ABCG2, CNR2 KAT2B 719/4885BAZ2B 2232/4885PDE4D 1050/4885
US-20040242573-A1 Novel compounds SULT1E1, TPMT, UGT1A1 KAT2B 2078/4885BAZ2B 3444/4885PDE4D 1188/4885
US-20110152234-A1 Novel Compounds CNR1, ABCG2, CNR2 KAT2B 719/4885BAZ2B 2232/4885PDE4D 1050/4885

“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.