SCHEMBL12489166

SCHEMBL12489166

Fc1c(Br)cccc1OC1CCOCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KAT2B Q92831 1/20 0.44
BAZ2B Q9UIF8 1/20 0.44
SLC6A2 P23975 2/20 0.41
SLC6A3 Q01959 2/20 0.41
SLC6A4 P31645 1/20 0.41
SYK P43405 1/20 0.41
PSEN1 P49768 1/20 0.37
PSEN2 P49810 1/20 0.37
APH1B Q8WW43 1/20 0.37
NCSTN Q92542 1/20 0.37
APH1A Q96BI3 1/20 0.37
PSENEN Q9NZ42 1/20 0.37
HTR1A P08908 1/20 0.35
TYK2 P29597 1/20 0.35
VEGFA P15692 1/20 0.34
AR P10275 1/20 0.34
PIK3CA P42336 2/20 0.34
PDE4D Q08499 4/20 0.34
PDE4A P27815 3/20 0.34
PDE4B Q07343 3/20 0.34

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
SCHEMBL25385511 0.88 SLC6A2 (0.47) SLC6A2SLC6A3SLC6A4HTR1AAR
SCHEMBL7097826 0.85 SLC6A2 (0.45) SLC6A2SLC6A3SLC6A4HTR1AAR
SCHEMBL7102061 0.85 SLC6A2 (0.45) SLC6A2SLC6A3SLC6A4HTR1AAR
SCHEMBL14857951 0.83 MCHR1 (0.44) SLC6A2SLC6A3SLC6A4HTR1AAR
SCHEMBL1929230 0.83 KAT2B (0.53) KAT2BBAZ2BSYKPSEN1PSEN2
SCHEMBL31383838 0.81 KAT2B (0.44) KAT2BBAZ2BSYKPSEN1PSEN2
SCHEMBL31583186 0.79 KAT2B (0.43) KAT2BBAZ2BSYKVEGFAAR
SCHEMBL4504051 0.78 KDM4E (0.44) SLC6A2SLC6A3SLC6A4EGFRKDM4E
SCHEMBL22040926 0.77 KAT2B (0.45) KAT2BBAZ2BSLC6A2SLC6A3SLC6A4
SCHEMBL2226051 0.77 DHFR (0.48) PIM1PIM3PIM2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11834449-B2 TYK2 inhibitors and uses thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-12-05 US disclosed
US-11834449-B2 TYK2 inhibitors and uses thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-12-05 US disclosed
WO-2020112937-A1 TYK2 INHIBITORS AND USES THEREOF NIMBUS LAKSHMI, INC. (US) 2020-06-04 WO disclosed
US-8962623-B2 Aminopyrazine compounds LOCUS PHARMACEUTICALS, INC. (US) 2015-02-24 US disclosed
US-20140187529-A1 AMINOPYRAZINE COMPOUNDS LOCUS PHARMACEUTICALS, INC. (US) 2014-07-03 US disclosed
WO-2012121939-A2 AMINOPYRAZINE COMPOUNDS LOCUS PHARMACEUTICALS, INC. (US) 2012-09-13 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 (2 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-11834449-B2 TYK2 inhibitors and uses thereof TYK2, JAK2, JAK1 KAT2B 2072/4885BAZ2B 404/4885SLC6A2 4386/4885
US-20140187529-A1 AMINOPYRAZINE COMPOUNDS ITK, IL4I1, IL5 KAT2B 3041/4885BAZ2B 633/4885SLC6A2 1160/4885

“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.