Sugi Predict

Sugi Predict / Compounds / SCHEMBL9281503

SCHEMBL9281503

SCHEMBL9281503

COc1cnc(-n2ccnn2)c2[nH]cc(C(=O)C(=O)N3CCN(C(=O)C4CCCCCC4)CC3)c12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 2/20 0.53
▸ CYP2C9 P11712 2/20 0.52
▸ CYP2D6 P10635 2/20 0.52
▸ CYP1A2 P05177 1/20 0.52
▸ CYP2C8 P10632 1/20 0.52
▸ CYP2B6 P20813 1/20 0.52
▸ CYP2C19 P33261 1/20 0.52
▸ KCNH2 Q12809 1/20 0.52
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ SUV39H2 Q9H5I1 3/20 0.34
▸ TTK P33981 2/20 0.33
▸ TLR9 Q9NR96 2/20 0.33
▸ TLR7 Q9NYK1 2/20 0.33
▸ HCRTR1 O43613 2/20 0.33
▸ HCRTR2 O43614 2/20 0.33
▸ GABRA1 P14867 2/20 0.33
▸ GABRG2 P18507 2/20 0.33
▸ GABRB3 P28472 2/20 0.33
▸ GABRA3 P34903 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
SCHEMBL9286310 1.00 CYP3A4 (0.53) CYP3A4CYP2C9CYP2D6CYP1A2CYP2C8
SCHEMBL15273615 0.93 CYP3A4 (0.51) CYP3A4CYP2C9CYP2D6CYP1A2CYP2C8
SCHEMBL9914942 0.87 CYP3A4 (0.38) CYP3A4CYP2C9CYP2D6CYP1A2CYP2C8
SCHEMBL9914912 0.87 CYP3A4 (0.38) CYP3A4CYP2C9CYP2D6CYP1A2CYP2C8
SCHEMBL15273565 0.86 CYP3A4 (0.39) CYP3A4CYP2C9CYP2D6CYP1A2CYP2C8
SCHEMBL9914915 0.86 CYP3A4 (0.55) CYP3A4CYP2C9CYP2D6CYP1A2CYP2C8
SCHEMBL2629066 0.83 CYP3A4 (0.75) CYP3A4CYP2C9CYP2D6CYP1A2CYP2C8
SCHEMBL9914922 0.83 CYP3A4 (0.48) CYP3A4CYP2C9CYP2D6CYP1A2CYP2C8
SCHEMBL9914967 0.83 CYP3A4 (0.51) CYP3A4CYP2C9CYP2D6CYP1A2CYP2C8
SCHEMBL9914929 0.83 CYP3A4 (0.40) CYP3A4CYP2C9CYP2D6CYP1A2CYP2C8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2646439-B1 ALKYL AMIDES AS HIV ATTACHMENT INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-05-25 — — EP disclosed
US-8912195-B2 Alkyl amides as HIV attachment inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-12-16 — — US disclosed
US-8912195-B2 Alkyl amides as HIV attachment inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-12-16 — — US disclosed
EP-2646439-A1 ALKYL AMIDES AS HIV ATTACHMENT INHIBITORS Bristol-Myers Squibb Company (US) 2013-10-09 — — EP disclosed
US-20130252968-A1 ALKYL AMIDES AS HIV ATTACHMENT INHIBITORS VIIV HEALTHCARE UK (NO. 5) LIMITED (GB) 2013-09-26 — — US disclosed
US-20130252968-A1 ALKYL AMIDES AS HIV ATTACHMENT INHIBITORS VIIV HEALTHCARE UK (NO. 5) LIMITED (GB) 2013-09-26 — — US disclosed
WO-2012075235-A1 ALKYL AMIDES AS HIV ATTACHMENT INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2012-06-07 — — WO disclosed
WO-2012075235-A1 ALKYL AMIDES AS HIV ATTACHMENT INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2012-06-07 — — 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-20130252968-A1 ALKYL AMIDES AS HIV ATTACHMENT INHIBITORS NAPA, ASNS, CD4 CYP3A4 164/4885CYP2C9 500/4885CYP2D6 403/4885

“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.