SCHEMBL19730195

SCHEMBL19730195

COC(=O)[C@@H]1CC[C@@H](n2ccc3c(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)nccc32)C1

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PDPK1 O15530 1/20 0.35
▸ JAK1 P23458 4/20 0.33
▸ KDM1A O60341 1/20 0.32
▸ JAK2 O60674 2/20 0.32
▸ GPR119 Q8TDV5 1/20 0.31
▸ SYK P43405 1/20 0.30

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
SCHEMBL19714858 0.85 PDPK1 (0.40) PDPK1JAK1JAK2GPR119
SCHEMBL19714874 0.85 JAK1 (0.36) PDPK1JAK1KDM1AJAK2
SCHEMBL19730197 0.79 KDM1A (0.40) KDM1ASYK
SCHEMBL19730196 0.72 HTR6 (0.36) PDPK1
SCHEMBL19715023 0.72 PDPK1 (0.36) PDPK1
SCHEMBL20049565 0.69 PDPK1 (0.39) PDPK1JAK1JAK2GPR119
SCHEMBL13759623 0.68 GPR119 (0.33) PDPK1GPR119
SCHEMBL25047944 0.66 PIP4K2A (0.44) KDM1A
SCHEMBL19714842 0.66 ADCY5 (0.48) —
SCHEMBL21176120 0.66 CHKA (0.45) —

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 PDPK1 1535/4885JAK1 3521/4885KDM1A 3118/4885

“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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