SCHEMBL26982175

SCHEMBL26982175

O=Cc1c(Br)cccc1-c1noc2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 9/20 0.44
ESR2 Q92731 9/20 0.44
HSP90AA1 P07900 2/20 0.40
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
LMNA P02545 1/20 0.38
CA3 P07451 1/20 0.38
CA4 P22748 1/20 0.38
CA6 P23280 1/20 0.38
MAOB P27338 1/20 0.38
CA5A P35218 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA13 Q8N1Q1 1/20 0.38
CA14 Q9ULX7 1/20 0.38
CA5B Q9Y2D0 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.36
TP53 P04637 1/20 0.36
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL26982059 0.82 SMN1; SMN2 (0.45) ESR1ESR2HSP90AA1CA12CA1
SCHEMBL26982092 0.82 ESR1 (0.48) ESR1ESR2HSP90AA1CA12CA1
SCHEMBL28543077 0.81 ESR1 (0.54) ESR1ESR2HSP90AA1CA12CA1
SCHEMBL26982004 0.78 ESR1 (0.40) ESR1ESR2HSP90AA1CA12CA1
SCHEMBL6711107 0.76 ESR1 (0.50) ESR1ESR2HSP90AA1CA12CA1
SCHEMBL29898905 0.74 ESR1 (0.35) ESR1ESR2HSP90AA1
SCHEMBL26982341 0.74 ESR1 (0.35) ESR1ESR2HSP90AA1
SCHEMBL27130127 0.74 ESR1 (0.35) ESR1ESR2HSP90AA1
SCHEMBL29896654 0.73 ESR1 (0.46) ESR1ESR2HSP90AA1CA12CA1
SCHEMBL26982427 0.73 ESR1 (0.46) ESR1ESR2HSP90AA1CA12CA1

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
US-20240190854-A1 PYRIMIDINE OR PYRIDINE DERIVATIVES USEFUL AS HCN2 MODULATORS KING'S COLLEGE LONDON (GB) 2024-06-13 US disclosed
EP-4301745-A1 PYRIMIDINE OR PYRIDINE DERIVATES USEFUL AS HCN2 MODULATORS King's College London (GB) 2024-01-10 EP disclosed
WO-2022185055-A1 PYRIMIDINE OR PYRIDINE DERIVATES USEFUL AS HCN2 MODULATORS KING'S COLLEGE LONDON (GB) 2022-09-09 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-20240190854-A1 PYRIMIDINE OR PYRIDINE DERIVATIVES USEFUL AS HCN2 MODULATORS HCN2, HCN1, HCN3 ESR1 4698/4885ESR2 2847/4885HSP90AA1 1636/4885

“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.