SCHEMBL2430945

SCHEMBL2430945

Cc1cc(Br)nc(C)c1O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 1/20 0.42
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
KDM4E B2RXH2 6/20 0.38
MAPT P10636 5/20 0.38
LMNA P02545 4/20 0.38
GAA P10253 2/20 0.38
ALDH1A1 P00352 2/20 0.38
HTT P42858 3/20 0.34
PRNP P04156 1/20 0.34
HPGD P15428 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
NOD2 Q9HC29 1/20 0.34
RAB9A P51151 2/20 0.33
NPC1 O15118 1/20 0.33
MITF O75030 1/20 0.33
TP53 P04637 1/20 0.33
TSHR P16473 1/20 0.33
AGTR1 P30556 1/20 0.33
ESR1 P03372 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
SCHEMBL29987998 0.81 NQO2 (0.52) NQO2CA1CA2KDM4EMAPT
SCHEMBL29344230 0.81 CA1 (0.40) NQO2CA1CA2KDM4EMAPT
SCHEMBL3210739 0.81 NQO2 (0.52) NQO2CA1CA2KDM4EMAPT
SCHEMBL24568278 0.77 KDM4E (0.45) NQO2CA1CA2KDM4EMAPT
SCHEMBL24582223 0.77 TTR (0.42) NQO2LMNAHTTPRNPHPGD
SCHEMBL25111458 0.76 CA1 (0.40) NQO2CA1CA2KDM4EMAPT
SCHEMBL1250322 0.75 CA1 (0.43) NQO2CA1CA2KDM4EMAPT
SCHEMBL30837586 0.75 CA1 (0.43) NQO2CA1CA2KDM4EMAPT
SCHEMBL11985854 0.75 TDP1 (0.33) NQO2LMNAGAAHTTCYP1A2
SCHEMBL17422690 0.74 PTGS2 (0.47) NQO2CA1CA2KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022136174-A1 TRICYCLIC PYRIMIDINES AS CYCLIN-DEPENDENT KINASE 7 (CDK7) INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2022-06-30 WO disclosed
EP-2804868-B1 PYRAN-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMA (US) 2017-04-12 EP disclosed
US-20110319426-A1 Substituted Isoindoles ASTRAZENECA AB (SE) 2011-12-29 US disclosed
US-20110319426-A1 Substituted Isoindoles ASTRAZENECA AB (SE) 2011-12-29 US disclosed
US-20110319426-A1 Substituted Isoindoles ASTRAZENECA AB (SE) 2011-12-29 US disclosed
US-8030500-B2 Substituted isoindoles for the treatment and/or prevention of Aβ- related pathologies ASTRAZENECA AB (SE) 2011-10-04 US disclosed
US-8030500-B2 Substituted isoindoles for the treatment and/or prevention of Aβ- related pathologies ASTRAZENECA AB (SE) 2011-10-04 US disclosed
US-8030500-B2 Substituted isoindoles for the treatment and/or prevention of Aβ- related pathologies ASTRAZENECA AB (SE) 2011-10-04 US disclosed
EP-2367814-A1 NEW COMPOUNDS 578 AstraZeneca AB (SE) 2011-09-28 EP disclosed
US-20100125082-A1 NEW COMPOUNDS 578 ASTRAZENECA AB (SE) 2010-05-20 US disclosed
US-20100125082-A1 NEW COMPOUNDS 578 ASTRAZENECA AB (SE) 2010-05-20 US disclosed
US-20100125082-A1 NEW COMPOUNDS 578 ASTRAZENECA AB (SE) 2010-05-20 US disclosed
WO-2010056194-A1 5H-PYRROLO [ 3, 4-B] PYRIDIN DERIVATIVES AND THEIR USE ASTRAZENECA AB (SE) 2010-05-20 WO disclosed
WO-2010056194-A1 5H-PYRROLO [ 3, 4-B] PYRIDIN DERIVATIVES AND THEIR USE ASTRAZENECA AB (SE) 2010-05-20 WO disclosed
US-20100125081-A1 NEW COMPOUNDS 574 ASTRAZENECA AB (SE) 2010-05-20 US disclosed
US-20100125081-A1 NEW COMPOUNDS 574 ASTRAZENECA AB (SE) 2010-05-20 US disclosed
US-20100125081-A1 NEW COMPOUNDS 574 ASTRAZENECA AB (SE) 2010-05-20 US disclosed
WO-2010056196-A1 NEW COMPOUNDS 578 ASTRAZENECA AB (SE) 2010-05-20 WO disclosed
WO-2010056196-A1 NEW COMPOUNDS 578 ASTRAZENECA AB (SE) 2010-05-20 WO disclosed
WO-2009144253-A1 COMPOUNDS COMPRISING A 3-PYRIDINOL OR 5-PYRIMIDINOL RING HAVING AN ORGANOSELENO OR ORGANOTELLURO SUBSTITUENT FOR USE AS ANTIOXIDANTS KAROLINSKA INSTITUTET INNOVATIONS AB (SE) 2009-12-03 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-20100125082-A1 NEW COMPOUNDS 578 PSEN1, PSEN2, BACE1 NQO2 4672/4885CA1 3141/4885CA2 3759/4885
US-20100125081-A1 NEW COMPOUNDS 574 PSEN1, PSEN2, BACE1 NQO2 4668/4885CA1 3177/4885CA2 3827/4885
US-20110319426-A1 Substituted Isoindoles PSEN2, PSEN1, SNCA NQO2 3889/4885CA1 3811/4885CA2 4027/4885

“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.