SCHEMBL19714831

SCHEMBL19714831

COC(=O)[C@@H]1CC[C@@H](n2cnc3c(N)nc(C(F)(F)F)nc32)C1

nearest known ligand 0.49

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ADCY5 O95622 3/20 0.49
▸ CHKA P35790 17/20 0.48
▸ CHKB Q9Y259 3/20 0.45

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
SCHEMBL19813953 0.94 CHKA (0.52) CHKACHKB
SCHEMBL19813950 0.94 CHKA (0.52) CHKACHKB
SCHEMBL19714849 0.87 ADCY5 (0.67) ADCY5CHKA
SCHEMBL19714900 0.86 CHKA (0.61) ADCY5CHKACHKB
SCHEMBL19714862 0.86 ADCY5 (0.54) ADCY5CHKACHKB
SCHEMBL19715025 0.85 ADCY5 (0.53) ADCY5CHKACHKB
SCHEMBL19714911 0.85 ADCY5 (0.53) ADCY5CHKACHKB
SCHEMBL19820686 0.83 CHKA (0.52) ADCY5CHKACHKB
SCHEMBL19820684 0.83 CHKA (0.52) ADCY5CHKACHKB
SCHEMBL19815956 0.81 CHKA (0.45) CHKACHKB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10081633-B2 Adenylyl cyclase inhibitors, pharmaceutical compositions and method of use thereof VASADE BIOSCIENCES, INC. 2018-09-25 — — US disclosed
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 (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-10081633-B2 Adenylyl cyclase inhibitors, pharmaceutical compositions and method of use thereof ADCY1, ADCY2, ADCY5 ADCY5 3/4885CHKA 1760/4885CHKB 1311/4885
US-20170362235-A1 ADENYLYL CYCLASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS AND METHOD OF USE THEREOF ADCY1, ADCY2, ADCY5 ADCY5 3/4885CHKA 1760/4885CHKB 1311/4885

“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.

Send feedback