SCHEMBL19714827

SCHEMBL19714827

Nc1nccc2c1ncn2[C@@H]1CC[C@@H](C(=O)O)C1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ADCY5 O95622 9/20 0.49
▸ AHCY P23526 5/20 0.48
▸ EZH2 Q15910 1/20 0.44
▸ CHKA P35790 2/20 0.43
▸ DNMT1 P26358 1/20 0.40
▸ DNMT3B Q9UBC3 1/20 0.40
▸ NEK2 P51955 1/20 0.39
▸ ADORA2A P29274 1/20 0.39

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
SCHEMBL19820687 0.92 AHCY (0.50) ADCY5AHCYEZH2CHKADNMT1
SCHEMBL29353215 0.92 AHCY (0.50) ADCY5AHCYEZH2CHKADNMT1
SCHEMBL21190176 0.92 AHCY (0.50) ADCY5AHCYEZH2CHKADNMT1
SCHEMBL19714830 0.87 ADCY5 (0.67) ADCY5AHCYEZH2CHKA
SCHEMBL19714860 0.86 ADCY5 (0.48) ADCY5AHCYEZH2CHKA
SCHEMBL21190302 0.81 CHKA (0.48) ADCY5AHCYEZH2CHKAADORA2A
SCHEMBL19820529 0.81 CHKA (0.48) ADCY5AHCYEZH2CHKAADORA2A
SCHEMBL19714848 0.80 NEK2 (0.39) ADCY5CHKANEK2
SCHEMBL6045812 0.79 ADCY5 (0.76) ADCY5CHKAADORA2A
SCHEMBL6045706 0.79 ADCY5 (0.76) ADCY5CHKAADORA2A

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 3/4885AHCY 672/4885EZH2 4082/4885
US-20170362235-A1 ADENYLYL CYCLASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS AND METHOD OF USE THEREOF ADCY1, ADCY2, ADCY5 ADCY5 3/4885AHCY 672/4885EZH2 4082/4885

“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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