SCHEMBL19730171

SCHEMBL19730171

C[C@H]1C[C@@H](n2cnc3c(N)nc(F)cc32)C[C@@H]1C(=O)NO

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ AHCY P23526 2/20 0.47
▸ ADCY5 O95622 14/20 0.41
▸ CHKA P35790 1/20 0.35
▸ CYP2C9 P11712 1/20 0.33
▸ IDO1 P14902 1/20 0.33
▸ KCNH2 Q12809 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
SCHEMBL19730183 0.88 AHCY (0.47) AHCYADCY5CHKACYP2C9IDO1
SCHEMBL19730182 0.83 AHCY (0.40) AHCYCHKA
SCHEMBL19714922 0.82 CHKA (0.52) AHCYADCY5CHKA
SCHEMBL19714906 0.81 ADCY5 (0.60) AHCYADCY5CHKA
SCHEMBL19714902 0.77 ADCY5 (0.67) AHCYADCY5
SCHEMBL19714894 0.74 AHCY (0.51) AHCYADCY5CHKA
SCHEMBL19714933 0.69 CHKA (0.50) AHCYADCY5CHKA
SCHEMBL19714932 0.69 CHKA (0.50) AHCYADCY5CHKA
SCHEMBL19714887 0.67 ADCY5 (0.43) AHCYADCY5CHKA
SCHEMBL19714944 0.67 CHKA (0.45) AHCYCHKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170362235-A1 ADENYLYL CYCLASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS AND METHOD OF USE THEREOF VASADE BIOSCIENCES, INC. 2017-12-21 — — US disclosed
US-20170362235-A1 ADENYLYL CYCLASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS AND METHOD OF USE THEREOF VASADE BIOSCIENCES, INC. 2017-12-21 — — 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-20170362235-A1 ADENYLYL CYCLASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS AND METHOD OF USE THEREOF ADCY1, ADCY2, ADCY5 AHCY 672/4885ADCY5 3/4885CHKA 1760/4885

“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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