SCHEMBL22553554

SCHEMBL22553554

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

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 3/20 0.43
CHEK2 O96017 3/20 0.43
OPRK1 P41145 2/20 0.42
LRRK2 Q5S007 1/20 0.41
IRAK4 Q9NWZ3 6/20 0.40
HPGDS O60760 1/20 0.40
POLQ O75417 2/20 0.40
MAPK8 P45983 1/20 0.39
MAPK9 P45984 1/20 0.39
HSD11B1 P28845 4/20 0.38

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
SCHEMBL22585839 1.00 CHEK1 (0.43) CHEK1CHEK2OPRK1LRRK2IRAK4
SCHEMBL21724833 0.93 OPRK1 (0.46) CHEK1CHEK2OPRK1LRRK2IRAK4
SCHEMBL30201761 0.93 OPRK1 (0.46) CHEK1CHEK2OPRK1LRRK2IRAK4
SCHEMBL21765581 0.89 PDE4B (0.51) OPRK1IRAK4
SCHEMBL22553657 0.88 IRAK4 (0.42) LRRK2IRAK4HSD11B1
SCHEMBL22585840 0.88 IRAK4 (0.42) LRRK2IRAK4HSD11B1
SCHEMBL4406630 0.86 CHEK1 (0.47) CHEK1CHEK2OPRK1IRAK4
SCHEMBL31678736 0.86 MAPK3 (0.48) IRAK4
SCHEMBL31678648 0.86 MAPK3 (0.48) IRAK4
SCHEMBL15688851 0.84 YAP1 (0.48) CHEK1CHEK2OPRK1

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
CN-114007697-A Antiproliferative agents for the treatment of PAH 辉瑞公司 2022-02-01 CN disclosed
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 CHEK1 1238/4885CHEK2 1386/4885OPRK1 4108/4885
US-20200331909-A1 ANTI-PROLIFERATIVE AGENTS FOR TREATING PAH EDNRB, EDNRA, PAH CHEK1 1238/4885CHEK2 1386/4885OPRK1 4108/4885

“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.