Sugi Predict

Sugi Predict / Compounds / SCHEMBL22654473

SCHEMBL22654473

SCHEMBL22654473

CC(=O)[C@H]1C[C@@H]1c1ccc(Br)c(F)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 8/20 0.57
▸ KCNH2 Q12809 2/20 0.57
▸ KDM1B Q8NB78 2/20 0.57
▸ SLC9A1 P19634 2/20 0.50
▸ RCOR1 Q9UKL0 1/20 0.40
▸ SLC6A2 P23975 2/20 0.36
▸ SLC6A4 P31645 2/20 0.36
▸ SLC6A3 Q01959 2/20 0.36
▸ CHRNA1 P02708 1/20 0.36
▸ CHRNG P07510 1/20 0.36
▸ ITGA5 P08648 1/20 0.36
▸ CHRNB1 P11230 1/20 0.36
▸ CHRNB2 P17787 1/20 0.36
▸ CHRNB4 P30926 1/20 0.36
▸ CHRNA3 P32297 1/20 0.36
▸ CHRNA4 P43681 1/20 0.36
▸ CHRND Q07001 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 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
SCHEMBL25831221 0.86 KDM1A (0.58) KDM1AKCNH2KDM1BSLC9A1RCOR1
SCHEMBL30477034 0.86 KDM1A (0.58) KDM1AKCNH2KDM1BSLC9A1RCOR1
SCHEMBL29033471 0.86 KDM1A (0.58) KDM1AKCNH2KDM1BSLC9A1RCOR1
SCHEMBL20065138 0.86 KDM1A (0.58) KDM1AKCNH2KDM1BSLC9A1RCOR1
SCHEMBL31424355 0.86 KDM1A (0.58) KDM1AKCNH2KDM1BSLC9A1RCOR1
SCHEMBL18198488 0.86 KDM1A (0.58) KDM1AKCNH2KDM1BSLC9A1RCOR1
SCHEMBL30477029 0.86 KDM1A (0.58) KDM1AKCNH2KDM1BSLC9A1RCOR1
SCHEMBL22654460 0.86 KDM1A (0.58) KDM1AKCNH2KDM1BSLC9A1RCOR1
SCHEMBL22654465 0.86 KDM1A (0.58) KDM1AKCNH2KDM1BSLC9A1RCOR1
SCHEMBL25831214 0.86 KDM1A (0.58) KDM1AKCNH2KDM1BSLC9A1RCOR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3746444-B1 CYCLOALKYL SUBSTITUTED PYRAZOLOPYRIMIDINES HAVING ACTIVITY AGAINST RSV JANSSEN SCIENCES IRELAND UNLIMITED CO (IE) 2023-09-27 — — EP disclosed
US-11491157-B2 Cycloalkyl substituted pyrazolopyrimidines having activity against RSV Janssen Sciences Ireland Unlimited Company Co Cork, IE (IE) 2022-11-08 — — US disclosed
US-20200360387-A1 CYCLOALKYL SUBSTITUTED PYRAZOLOPYRIMIDINES HAVING ACTIVITY AGAINST RSV JANSSEN-CILAG (FR) 2020-11-19 — — US disclosed
US-20200360387-A1 CYCLOALKYL SUBSTITUTED PYRAZOLOPYRIMIDINES HAVING ACTIVITY AGAINST RSV JANSSEN-CILAG (FR) 2020-11-19 — — US disclosed
CN-111670189-A Cycloalkyl-substituted pyrazolopyrimidines having activity on RSV 爱尔兰詹森科学公司 2020-09-15 — — CN 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-20200360387-A1 CYCLOALKYL SUBSTITUTED PYRAZOLOPYRIMIDINES HAVING ACTIVITY AGAINST RSV ACE, ACE2, PTBP1 KDM1A 3168/4885KCNH2 1886/4885KDM1B 3491/4885
US-11491157-B2 Cycloalkyl substituted pyrazolopyrimidines having activity against RSV ACE, ACE2, PTBP1 KDM1A 3024/4885KCNH2 1699/4885KDM1B 3355/4885

“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.