SCHEMBL16846150

SCHEMBL16846150

CC(C)(O)CCC1CN(c2nc(N)n[nH]2)CCN1C(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 3/20 0.39
▸ MAP4K4 O95819 1/20 0.37
▸ HDAC1 Q13547 2/20 0.37
▸ NR1H2 P55055 4/20 0.36
▸ NR1H3 Q13133 3/20 0.36
▸ DPP4 P27487 1/20 0.35
▸ PDE8B O95263 1/20 0.34
▸ CHEK2 O96017 1/20 0.33
▸ GPR119 Q8TDV5 2/20 0.32

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
SCHEMBL16846250 0.85 PARP1 (0.39) PARP1MAP4K4HDAC1NR1H2NR1H3
SCHEMBL16825695 0.75 MAP4K4 (0.46) PARP1MAP4K4
SCHEMBL16846148 0.71 PARP1 (0.51) PARP1NR1H2NR1H3
SCHEMBL16846173 0.67 PARP1 (0.38) PARP1NR1H2NR1H3
SCHEMBL27979284 0.65 NR1H2 (0.46) MAP4K4HDAC1NR1H2NR1H3GPR119
SCHEMBL23478575 0.64 DPP4 (0.38) PARP1MAP4K4HDAC1NR1H2NR1H3
SCHEMBL18186416 0.64 NR1H2 (0.48) MAP4K4HDAC1NR1H2NR1H3GPR119
SCHEMBL16824975 0.64 NR1H2 (0.48) MAP4K4HDAC1NR1H2NR1H3GPR119
SCHEMBL18186418 0.64 NR1H2 (0.48) MAP4K4HDAC1NR1H2NR1H3GPR119
SCHEMBL16569865 0.64 NR1H2 (0.48) PARP1MAP4K4HDAC1NR1H2NR1H3

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
EP-3082805-B1 SUBSTITUTED AMINO TRIAZOLES, AND METHODS USING SAME INST FOR DRUG DISCOVERY LLC (US) 2020-02-05 — — EP disclosed
US-20160297823-A1 SUBSTITUTED AMINO TRIAZOLES, AND METHODS USING SAME INSTITUTE FOR DRUG DISCOVERY, LLC 2016-10-13 — — US disclosed
US-20160297823-A1 SUBSTITUTED AMINO TRIAZOLES, AND METHODS USING SAME INSTITUTE FOR DRUG DISCOVERY, LLC 2016-10-13 — — US disclosed
WO-2015095701-A1 SUBSTITUTED AMINO TRIAZOLES, AND METHODS USING SAME THE INSTITUTE FOR DRUG DELIVERY (US) 2015-06-25 — — WO 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-20160297823-A1 SUBSTITUTED AMINO TRIAZOLES, AND METHODS USING SAME CMA1, CHIA, AADAC PARP1 3904/4885MAP4K4 3538/4885HDAC1 384/4885

“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