SCHEMBL31041031

SCHEMBL31041031

Fc1c(Br)ccc2c(OCc3ccccc3)nc(Cl)nc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIN1 Q13526 1/20 0.41
▸ PDE5A O76074 1/20 0.40
▸ PTGES O14684 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ CNR1 P21554 2/20 0.36
▸ ACHE P22303 1/20 0.36
▸ CNR2 P34972 1/20 0.36
▸ ALOX5AP P20292 1/20 0.36
▸ FEN1 P39748 1/20 0.36
▸ MAOB P27338 1/20 0.35
▸ MGMT P16455 2/20 0.34
▸ MPO P05164 1/20 0.34
▸ TPO P07202 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ EPX P11678 1/20 0.34
▸ DAPK1 P53355 1/20 0.34
▸ HRH4 Q9H3N8 1/20 0.34
▸ LMNA P02545 2/20 0.34
▸ ALOX5 P09917 1/20 0.34
▸ THRA P10827 1/20 0.33

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
SCHEMBL25165363 0.82 PIN1 (0.40) PIN1PDE5APTGESL3MBTL1CNR1
SCHEMBL25164958 0.82 PTGES (0.40) PIN1PDE5APTGESL3MBTL1CNR1
SCHEMBL25336522 0.81 PIN1 (0.39) PIN1PDE5APTGESL3MBTL1CNR1
SCHEMBL23043480 0.81 PIN1 (0.45) PIN1PDE5APTGESL3MBTL1CNR1
SCHEMBL25336104 0.79 MBOAT4 (0.34) CNR2
SCHEMBL27209714 0.79 PIN1 (0.37) PIN1PDE5APTGESL3MBTL1CNR1
SCHEMBL29071014 0.77 PIN1 (0.41) PIN1PDE5APTGESL3MBTL1CNR1
SCHEMBL30989561 0.75 SMN1; SMN2 (0.38) MAOBMPOALOX5THRATHRB
SCHEMBL29634793 0.74 — —
SCHEMBL23409341 0.74 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12570672-B2 Macrocyclic compounds and methods of use AMGEN INC. 2026-03-10 — — US disclosed
US-20250304599-A1 MACROCYCLIC COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2025-10-02 — — US disclosed
US-20250236631-A1 MACROCYCLIC COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2025-07-24 — — US disclosed
US-20240294551-A1 MACROCYCLIC COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2024-09-05 — — 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 (4 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-20250236631-A1 MACROCYCLIC COMPOUNDS AND METHODS OF USE KRAS, NRAS, HRAS PIN1 988/4885PDE5A 2841/4885PTGES 3625/4885
US-12570672-B2 Macrocyclic compounds and methods of use KRAS, NRAS, BRAF PIN1 1641/4885PDE5A 2838/4885PTGES 2660/4885
US-20250304599-A1 MACROCYCLIC COMPOUNDS AND METHODS OF USE KRAS, NRAS, HRAS PIN1 988/4885PDE5A 2841/4885PTGES 3625/4885
US-20240294551-A1 MACROCYCLIC COMPOUNDS AND METHODS OF USE KRAS, NRAS, HRAS PIN1 988/4885PDE5A 2841/4885PTGES 3625/4885

“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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