Sugi Predict

Sugi Predict / Compounds / SCHEMBL3565653

SCHEMBL3565653

SCHEMBL3565653

COc1cnc(-c2ccn(CC(=O)O)n2)c2c1c(C(=O)C(=O)N1CCN(c3nnnn3-c3ccccn3)CC1)cn2CC(=O)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 11/20 0.37
▸ CYP3A4 P08684 2/20 0.36
▸ CYP2C9 P11712 4/20 0.36
▸ CYP2C19 P33261 3/20 0.36
▸ CYP1A2 P05177 2/20 0.36
▸ CYP2C8 P10632 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ CYP2B6 P20813 1/20 0.36
▸ KCNH2 Q12809 1/20 0.36
▸ KMT2A Q03164 4/20 0.35
▸ MEN1 O00255 3/20 0.35
▸ KDM4E B2RXH2 8/20 0.35
▸ HSD17B10 Q99714 4/20 0.35
▸ HPGD P15428 2/20 0.35
▸ TSHR P16473 1/20 0.35
▸ ABCB1 P08183 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ ABCG2 Q9UNQ0 1/20 0.34
▸ NPSR1 Q6W5P4 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33

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
SCHEMBL14155795 0.94 ALDH1A1 (0.35) ALDH1A1CYP3A4CYP2C9CYP2C19CYP1A2
SCHEMBL3559415 0.88 CYP2C9 (0.46) ALDH1A1CYP3A4CYP2C9CYP2C19CYP1A2
SCHEMBL3559326 0.81 CYP2C9 (0.42) ALDH1A1CYP3A4CYP2C9CYP2C19CYP1A2
SCHEMBL3564961 0.81 CYP2C9 (0.42) ALDH1A1CYP3A4CYP2C9CYP2C19CYP1A2
SCHEMBL13142228 0.79 ALDH1A1 (0.36) ALDH1A1CYP3A4CYP2C9CYP2C19CYP1A2
SCHEMBL13142234 0.79 ALDH1A1 (0.35) ALDH1A1CYP3A4CYP2C9CYP2C19CYP1A2
SCHEMBL3563559 0.78 CYP2C9 (0.47) ALDH1A1CYP3A4CYP2C9CYP2C19CYP1A2
SCHEMBL3559673 0.74 CYP2C9 (0.47) ALDH1A1CYP3A4CYP2C9CYP2C19CYP1A2
SCHEMBL3559201 0.74 CYP3A4 (0.51) ALDH1A1CYP3A4CYP2C9CYP2C19CYP1A2
SCHEMBL13116918 0.74 CYP3A4 (0.54) ALDH1A1CYP3A4CYP2C9CYP2C19CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7807676-B2 Diketo-Piperazine and Piperidine derivatives as antiviral agents BRISTOL-MYERS SQUIBB COMPANY (US) 2010-10-05 — — US disclosed
US-7807676-B2 Diketo-Piperazine and Piperidine derivatives as antiviral agents BRISTOL-MYERS SQUIBB COMPANY (US) 2010-10-05 — — US disclosed
US-7807676-B2 Diketo-Piperazine and Piperidine derivatives as antiviral agents BRISTOL-MYERS SQUIBB COMPANY (US) 2010-10-05 — — US disclosed
US-20080139572-A1 DIKETO-PIPERAZINE AND PIPERIDINE DERIVATIVES AS ANTIVIRAL AGENTS BRISTOL-MYERS SQUIBB COMPANY 2008-06-12 — — US disclosed
US-20080139572-A1 DIKETO-PIPERAZINE AND PIPERIDINE DERIVATIVES AS ANTIVIRAL AGENTS BRISTOL-MYERS SQUIBB COMPANY 2008-06-12 — — US disclosed
US-20080139572-A1 DIKETO-PIPERAZINE AND PIPERIDINE DERIVATIVES AS ANTIVIRAL AGENTS BRISTOL-MYERS SQUIBB COMPANY 2008-06-12 — — 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-20080139572-A1 DIKETO-PIPERAZINE AND PIPERIDINE DERIVATIVES AS ANTIVIRAL AGENTS EIF2AK2, DCK, MAVS ALDH1A1 1424/4885CYP3A4 1204/4885CYP2C9 3136/4885

“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.