SCHEMBL19714940

SCHEMBL19714940

Nc1ncnc2c1nc(N)n2[C@@H]1CC[C@@H](C(=O)NO)C1

nearest known ligand 0.67

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ADCY5 O95622 11/20 0.67
▸ ADORA3 P0DMS8 3/20 0.46
▸ ADORA2A P29274 3/20 0.46
▸ ADORA1 P30542 3/20 0.46
▸ ADORA2B P29275 2/20 0.46
▸ CHKA P35790 4/20 0.43
▸ FBP1 P09467 1/20 0.41
▸ HSPA5 P11021 1/20 0.41
▸ HSPA8 P11142 1/20 0.41

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
SCHEMBL19714857 0.90 ADCY5 (0.65) ADCY5ADORA3ADORA2AADORA1ADORA2B
SCHEMBL19715017 0.89 ADCY5 (0.64) ADCY5ADORA3ADORA2AADORA1ADORA2B
SCHEMBL19714897 0.86 ADCY5 (0.61) ADCY5ADORA3ADORA2AADORA1ADORA2B
SCHEMBL19714928 0.85 ADCY5 (0.48) ADCY5ADORA3ADORA2AADORA1ADORA2B
SCHEMBL6045720 0.80 ADCY5 (1.00) ADCY5ADORA2ACHKA
SCHEMBL14956936 0.80 ADCY5 (1.00) ADCY5ADORA2ACHKA
SCHEMBL979020 0.80 ADCY5 (1.00) ADCY5ADORA2ACHKA
SCHEMBL6045679 0.80 ADCY5 (1.00) ADCY5ADORA2ACHKA
SCHEMBL6045709 0.80 ADCY5 (1.00) ADCY5ADORA2ACHKA
SCHEMBL6045721 0.80 ADCY5 (1.00) ADCY5ADORA2ACHKA

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-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
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 3/4885ADORA3 29/4885ADORA2A 26/4885
US-20170362235-A1 ADENYLYL CYCLASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS AND METHOD OF USE THEREOF ADCY1, ADCY2, ADCY5 ADCY5 3/4885ADORA3 29/4885ADORA2A 26/4885

“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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