SCHEMBL930667

SCHEMBL930667

Cc1cc(Br)cc(C2CC2)c1O

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ CYP3A4 P08684 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ CA1 P00915 1/20 0.34
▸ CA2 P00918 1/20 0.34
▸ GABRA1 P14867 2/20 0.33
▸ GABRB1 P18505 2/20 0.33
▸ ERN1 O75460 2/20 0.33
▸ TERT O14746 2/20 0.32
▸ GABRA2 P47869 1/20 0.31
▸ GABRB2 P47870 1/20 0.31
▸ WDR5 P61964 2/20 0.30
▸ MAOA P21397 1/20 0.30

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
SCHEMBL2046611 0.79 ALDH1A1 (0.45) KDM4EMEN1MAPTKMT2ATDP1
SCHEMBL30487328 0.76 KDM4E (0.37) KDM4EMEN1MAPTKMT2ACYP3A4
SCHEMBL25773828 0.76 KDM4E (0.37) KDM4EMEN1MAPTKMT2ACYP3A4
SCHEMBL31056424 0.76 HPGD (0.32) KDM4EMEN1MAPTKMT2ACYP3A4
SCHEMBL49544 0.75 CA1 (0.58) KDM4EMEN1MAPTKMT2ACYP3A4
SCHEMBL27893769 0.73 CYP3A4 (0.32) CYP3A4TSHRTDP1CA1CA2
SCHEMBL6669915 0.73 ESR2 (0.40) KDM4EMAPTCA1CA2
SCHEMBL930423 0.73 KDM4E (0.36) KDM4EMEN1MAPTKMT2ATSHR
SCHEMBL26812172 0.73 MEN1 (0.42) KDM4EMEN1MAPTKMT2AERN1
SCHEMBL11700915 0.72 PSMB5 (0.46) KDM4EMEN1MAPTKMT2ACA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011002409-A1 5H-PYRROLO[3,4-£>]PYRAZIN-7-AMINE DERIVATIVES INHIBITORS OF BETA-SECRETASE ASTRAZENECA AB (SE) 2011-01-06 — — WO disclosed
WO-2011002409-A1 5H-PYRROLO[3,4-£>]PYRAZIN-7-AMINE DERIVATIVES INHIBITORS OF BETA-SECRETASE ASTRAZENECA AB (SE) 2011-01-06 — — WO 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

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-20100125081-A1 NEW COMPOUNDS 574 PSEN1, PSEN2, BACE1 KDM4E 3434/4885MEN1 2636/4885MAPT 5/4885

“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.

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