SCHEMBL27193403

SCHEMBL27193403

COc1ccc(Cn2nc(OC[C@H]3COCCO3)c3cc(Br)cnc32)cc1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PDE1B Q01064 8/20 0.45
▸ DRD4 P21917 6/20 0.40
▸ GRM4 Q14833 3/20 0.39
▸ PDE1C Q14123 2/20 0.39
▸ PDE1A P54750 1/20 0.39
▸ GPR84 Q9NQS5 1/20 0.38
▸ CNR1 P21554 1/20 0.38
▸ CNR2 P34972 1/20 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
SCHEMBL27193665 1.00 PDE1B (0.45) PDE1BDRD4GRM4PDE1CPDE1A
SCHEMBL31533714 1.00 PDE1B (0.45) PDE1BDRD4GRM4PDE1CPDE1A
SCHEMBL27193455 0.81 PDE1B (0.47) PDE1BPDE1CPDE1ACNR1CNR2
SCHEMBL1592906 0.80 PDE1B (0.55) PDE1BPDE1CPDE1ACNR1CNR2
SCHEMBL27193571 0.80 PDE1B (0.46) PDE1BPDE1CPDE1ACNR1CNR2
SCHEMBL16536339 0.80 PDE1B (0.51) PDE1BCNR1CNR2
SCHEMBL1592961 0.80 PDE1B (0.53) PDE1BPDE1CPDE1ACNR1CNR2
SCHEMBL31533705 0.78 GRM4 (0.37) GRM4GPR84
SCHEMBL27193526 0.78 GRM4 (0.37) GRM4GPR84
SCHEMBL27193702 0.78 GRM4 (0.37) GRM4GPR84

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240116892-A1 HETEROCYCLIC AMIDE AND UREA COMPOUNDS AS JAK2 INHIBITORS AJAX THERAPEUTICS, INC. 2024-04-11 — — 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 (1 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-20240116892-A1 HETEROCYCLIC AMIDE AND UREA COMPOUNDS AS JAK2 INHIBITORS JAK2, JAK1, JAK3 PDE1B 2544/4885DRD4 4784/4885GRM4 4439/4885

“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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