Sugi Predict

Sugi Predict / Compounds / SCHEMBL14746233

SCHEMBL14746233

SCHEMBL14746233

O=C(C(=O)N1CC2CN(c3nnnn3-c3ccccc3)CC2C1)c1c[nH]c2c(-n3ccnn3)ncc(F)c12

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ CYP3A4 P08684 2/20 0.35
▸ CYP2D6 P10635 2/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP2C8 P10632 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2B6 P20813 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ HCRTR1 O43613 6/20 0.34
▸ HCRTR2 O43614 6/20 0.34
▸ TSHR P16473 1/20 0.34
▸ LMNA P02545 2/20 0.34
▸ GAA P10253 1/20 0.32
▸ GFER P55789 1/20 0.32
▸ DPP4 P27487 1/20 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
SCHEMBL13116839 0.90 ALDH1A1 (0.42) ALDH1A1NPSR1CYP3A4CYP2D6CYP1A2
SCHEMBL13116954 0.90 ALDH1A1 (0.37) ALDH1A1NPSR1CYP3A4CYP2D6CYP1A2
SCHEMBL3560111 0.89 TSHR (0.37) ALDH1A1NPSR1CYP3A4CYP2D6CYP1A2
SCHEMBL16142688 0.88 ALDH1A1 (0.40) ALDH1A1NPSR1CYP3A4CYP2D6CYP1A2
SCHEMBL13116924 0.86 CYP3A4 (0.38) ALDH1A1NPSR1CYP3A4CYP2D6CYP1A2
SCHEMBL13116852 0.86 TSHR (0.40) ALDH1A1NPSR1CYP3A4CYP2D6CYP2C9
SCHEMBL13143439 0.86 TSHR (0.40) ALDH1A1NPSR1CYP3A4CYP2D6CYP2C9
SCHEMBL13116851 0.86 TSHR (0.40) ALDH1A1NPSR1CYP3A4CYP2D6CYP2C9
SCHEMBL13116895 0.86 CYP3A4 (0.38) ALDH1A1NPSR1CYP3A4CYP2D6CYP1A2
SCHEMBL14393994 0.86 ALDH1A1 (0.33) ALDH1A1NPSR1CYP3A4CYP2D6CYP1A2

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-2751119-B1 FUSED BICYCLIC DIAMINE DERIVATIVES AS HIV ATTACHMENT INHIBITORS VIIV HEALTHCARE UK NO 5 LTD (GB) 2016-11-23 — — EP disclosed
US-8835454-B2 Fused bicyclic diamine derivatives as HIV attachment inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-09-16 — — US disclosed
US-8835454-B2 Fused bicyclic diamine derivatives as HIV attachment inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-09-16 — — US disclosed
EP-2751119-A1 FUSED BICYCLIC DIAMINE DERIVATIVES AS HIV ATTACHMENT INHIBITORS Bristol-Myers Squibb Company (US) 2014-07-09 — — EP disclosed
US-20130225635-A1 FUSED BICYCLIC DIAMINE DERIVATIVES AS HIV ATTACHMENT INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2013-08-29 — — US disclosed
US-20130225635-A1 FUSED BICYCLIC DIAMINE DERIVATIVES AS HIV ATTACHMENT INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2013-08-29 — — US disclosed
WO-2013033061-A1 FUSED BICYCLIC DIAMINE DERIVATIVES AS HIV ATTACHMENT INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2013-03-07 — — WO disclosed
WO-2013033061-A1 FUSED BICYCLIC DIAMINE DERIVATIVES AS HIV ATTACHMENT INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2013-03-07 — — 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-20130225635-A1 FUSED BICYCLIC DIAMINE DERIVATIVES AS HIV ATTACHMENT INHIBITORS CD4, GDI1, GDI2 ALDH1A1 149/4885NPSR1 2715/4885CYP3A4 398/4885

“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.