Sugi Predict

Sugi Predict / Compounds / SCHEMBL7495802

SCHEMBL7495802

SCHEMBL7495802

O=C(N[C@H]1C[C@@H]1c1ccccc1)c1nc2c(C(F)(F)F)cc(-c3ccco3)cn2c1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CACNA1B Q00975 3/20 0.48
▸ APBA1 Q02410 3/20 0.48
▸ EPHX2 P34913 3/20 0.39
▸ CYP2C9 P11712 2/20 0.39
▸ EPHX1 P07099 1/20 0.39
▸ KCNH2 Q12809 1/20 0.39
▸ CACNA1C Q13936 1/20 0.39
▸ RIPK1 Q13546 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ PKM P14618 1/20 0.35
▸ RXFP1 Q9HBX9 1/20 0.35
▸ PTGIR P43119 1/20 0.35
▸ DYRK1A Q13627 2/20 0.34
▸ CLK2 P49760 1/20 0.34
▸ CLK3 P49761 1/20 0.34
▸ WNT1 P04628 1/20 0.34
▸ SCD5 Q86SK9 1/20 0.34
▸ MAPK1 P28482 2/20 0.34

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
SCHEMBL1583694 0.81 KDM4E (0.41) CACNA1BAPBA1ALDH1A1MEN1KMT2A
SCHEMBL3699785 0.81 ADORA3 (0.39) CYP2C9ALDH1A1MEN1KMT2APKM
SCHEMBL3706908 0.81 HCRTR1 (0.40) ALDH1A1MEN1KMT2ATSHR
SCHEMBL3696233 0.80 PKM (0.49) CACNA1BAPBA1ALDH1A1MEN1KMT2A
SCHEMBL3689454 0.80 SCD5 (0.47) CACNA1BAPBA1ALDH1A1SCD5TSHR
SCHEMBL3700722 0.80 PKM (0.41) CYP2C9ALDH1A1MEN1KMT2APKM
SCHEMBL3684339 0.79 ALDH1A1 (0.48) CACNA1BAPBA1CYP2C9ALDH1A1MEN1
SCHEMBL3687507 0.78 SCD5 (0.53) CACNA1BAPBA1ALDH1A1SCD5
SCHEMBL3691708 0.78 SCD (0.45) SCD5
SCHEMBL3703771 0.78 SCD5 (0.47) EPHX2MEN1KMT2APKMRXFP1

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
US-20120121540-A1 Certain Nitrogen Containing Bicyclic Chemical Entities For Treating Viral Infections GLAXOSMITHKLINE LLC 2012-05-17 — — US disclosed
US-20120121540-A1 Certain Nitrogen Containing Bicyclic Chemical Entities For Treating Viral Infections GLAXOSMITHKLINE LLC 2012-05-17 — — US disclosed
US-20090176778-A1 Certain nitrogen containing bicyclic chemical entities for treating viral infections GLAXOSMITHKLINE LLC 2009-07-09 — — US disclosed
WO-2009023179-A2 NITROGEN CONTAINING BICYCLIC CHEMICAL ENTITIES FOR TREATING VIRAL INFECTIONS GENELABS TECHNOLOGIES, INC. (US) 2009-02-19 — — 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 (2 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-20120121540-A1 Certain Nitrogen Containing Bicyclic Chemical Entities For Treating Viral Infections OAT, HAVCR2, CPS1 CACNA1B 1940/4885APBA1 3981/4885EPHX2 1834/4885
US-20090176778-A1 Certain nitrogen containing bicyclic chemical entities for treating viral infections OAT, HAVCR2, CPS1 CACNA1B 1940/4885APBA1 3981/4885EPHX2 1834/4885

“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.