SCHEMBL22553657

SCHEMBL22553657

CC(=O)c1cnc(Cl)cc1N[C@H]1CCOC1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 10/20 0.42
HSD11B1 P28845 4/20 0.39
MAPK3 P27361 1/20 0.39
MAPK1 P28482 1/20 0.39
LRRK2 Q5S007 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
SCN5A Q14524 1/20 0.37
ACACB O00763 1/20 0.37

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
SCHEMBL22585840 1.00 IRAK4 (0.42) IRAK4HSD11B1MAPK3MAPK1LRRK2
SCHEMBL22585839 0.88 CHEK1 (0.43) IRAK4HSD11B1LRRK2
SCHEMBL31678648 0.88 MAPK3 (0.48) IRAK4MAPK3MAPK1
SCHEMBL31678736 0.88 MAPK3 (0.48) IRAK4MAPK3MAPK1
SCHEMBL22553554 0.88 CHEK1 (0.43) IRAK4HSD11B1LRRK2
SCHEMBL21765581 0.84 PDE4B (0.51) IRAK4MAPK1
SCHEMBL21460305 0.83 MEN1 (0.43) IRAK4
SCHEMBL18341448 0.81 IRAK4 (0.45) IRAK4SCN5A
SCHEMBL30906007 0.81 MAPK1 (0.46) IRAK4MAPK3MAPK1HDAC3HDAC1
SCHEMBL27093000 0.81 MAPK1 (0.46) IRAK4MAPK3MAPK1HDAC3HDAC1

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-11203594-B2 Anti-proliferative agents for treating PAH PFIZER INC. (US) 2021-12-21 US disclosed
US-11203594-B2 Anti-proliferative agents for treating PAH PFIZER INC. (US) 2021-12-21 US disclosed
US-20200331909-A1 ANTI-PROLIFERATIVE AGENTS FOR TREATING PAH PFIZER INC. (US) 2020-10-22 US disclosed
US-20200331909-A1 ANTI-PROLIFERATIVE AGENTS FOR TREATING PAH PFIZER INC. (US) 2020-10-22 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 (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-11203594-B2 Anti-proliferative agents for treating PAH EDNRB, EDNRA, PAH IRAK4 3445/4885HSD11B1 357/4885MAPK3 524/4885
US-20200331909-A1 ANTI-PROLIFERATIVE AGENTS FOR TREATING PAH EDNRB, EDNRA, PAH IRAK4 3445/4885HSD11B1 357/4885MAPK3 524/4885

“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.