SCHEMBL7987986

SCHEMBL7987986

CCNC(=O)c1ccc2nc(C)n(C(=O)OC(C)(C)C)c2c1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ACSS2 Q9NR19 2/20 0.47
PDE2A O00408 12/20 0.47
PDE10A Q9Y233 5/20 0.45
BRD4 O60885 2/20 0.42
GPR119 Q8TDV5 1/20 0.41
NR1H2 P55055 1/20 0.41
YEATS4 O95619 1/20 0.41
KCNH2 Q12809 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
SCHEMBL7984945 0.91 TP53 (0.47) BRD4YEATS4KCNH2
SCHEMBL6785980 0.83 TDP1 (0.47) ACSS2BRD4
SCHEMBL1417834 0.81 ACSS2 (0.46) ACSS2PDE2APDE10AGPR119
SCHEMBL7693340 0.80 ACSS2 (0.38) ACSS2BRD4
SCHEMBL7480954 0.78 ESR2 (0.41) BRD4NR1H2
SCHEMBL6784668 0.78 CA2 (0.45) BRD4
SCHEMBL30847402 0.77 USP30 (0.39) NR1H2
SCHEMBL12158 0.77 USP30 (0.39) NR1H2
SCHEMBL1418125 0.76 RIPK1 (0.48) ACSS2GPR119
SCHEMBL16460751 0.75 DCTPP1 (0.36) BRD4NR1H2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8377923-B2 Triazole derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2013-02-19 US disclosed
US-8377923-B2 Triazole derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2013-02-19 US disclosed
US-20110105460-A1 TRIAZOLE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2011-05-05 US disclosed
US-20110105460-A1 TRIAZOLE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2011-05-05 US disclosed
WO-2010001946-A1 TRIAZOLE DERIVATIVE OR SALT THEREOF アステラス製薬株式会社 (JP) 2010-01-07 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-20110105460-A1 TRIAZOLE DERIVATIVE OR SALT THEREOF HSD11B1, HSD11B2, HSD3B1 ACSS2 1337/4885PDE2A 1318/4885PDE10A 1524/4885

“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.