SCHEMBL24007641

SCHEMBL24007641

COC(=O)c1cc(Br)c(=O)n(C2CCOCC2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ OPRK1 P41145 3/20 0.39
▸ PIK3CA P42336 1/20 0.38
▸ PLAT P00750 1/20 0.37
▸ PDE1A P54750 3/20 0.36
▸ PDE1B Q01064 3/20 0.36
▸ PDE1C Q14123 3/20 0.36
▸ F10 P00742 1/20 0.36
▸ IRAK4 Q9NWZ3 2/20 0.35
▸ SLC5A1 P13866 2/20 0.35
▸ KCNJ6 P48051 1/20 0.35
▸ KCNJ5 P48544 1/20 0.35
▸ KCNJ3 P48549 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.34
▸ HPGD P15428 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ MGLL Q99685 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34

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
SCHEMBL19685293 0.91 PLAT (0.40) SMN1; SMN2OPRK1PIK3CAPLATALDH1A1
SCHEMBL26008690 0.86 PIK3CA (0.40) PIK3CAPDE1APDE1BPDE1CF10
SCHEMBL24007643 0.84 PLAT (0.38) OPRK1PIK3CAPLATPDE1APDE1B
SCHEMBL17287032 0.80 F10 (0.41) OPRK1PLATF10IRAK4KCNJ6
SCHEMBL25077956 0.78 ALDH1A1 (0.39) PDE1APDE1BPDE1CIRAK4KCNJ6
SCHEMBL23214031 0.74 PLAT (0.40) PLATALDH1A1HPGDHSD17B10CYP1A2
SCHEMBL18889463 0.73 KDM4E (0.40) SLC5A1ALDH1A1HPGDHSD17B10CYP1A2
SCHEMBL19186324 0.72 SMN1; SMN2 (0.41) SMN1; SMN2ALDH1A1HPGDHSD17B10CYP1A2
SCHEMBL29704418 0.71 PTGER4 (0.40) OPRK1IRAK4KCNJ6KCNJ5KCNJ3
SCHEMBL19657727 0.71 PTGER4 (0.40) OPRK1IRAK4KCNJ6KCNJ5KCNJ3

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-20230265075-A1 6-HETEROARYLOXY BENZIMIDAZOLES AND AZABENZIMIDAZOLES AS JAK2 INHIBITORS AJAX THERAPEUTICS, INC. 2023-08-24 — — US disclosed
US-11691963-B2 6-heteroaryloxy benzimidazoles and azabenzimidazoles as JAK2 inhibitors AJAX THERAPEUTICS, INC. (US) 2023-07-04 — — US disclosed
US-11691963-B2 6-heteroaryloxy benzimidazoles and azabenzimidazoles as JAK2 inhibitors AJAX THERAPEUTICS, INC. (US) 2023-07-04 — — US disclosed
WO-2021226261-A1 6-HETEROARYLOXY BENZIMIDAZOLES AND AZABENZIMIDAZOLES AS JAK2 INHIBITORS AJAX THERAPEUTICS, INC. (US) 2021-11-11 — — 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 (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-20230265075-A1 6-HETEROARYLOXY BENZIMIDAZOLES AND AZABENZIMIDAZOLES AS JAK2 INHIBITORS JAK2, JAK3, STAT5B SMN1; SMN2 4718/4885OPRK1 4016/4885PIK3CA 147/4885
US-11691963-B2 6-heteroaryloxy benzimidazoles and azabenzimidazoles as JAK2 inhibitors JAK2, JAK3, STAT5B SMN1; SMN2 4718/4885OPRK1 4016/4885PIK3CA 147/4885

“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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