Sugi Predict

Sugi Predict / Compounds / SCHEMBL3786194

SCHEMBL3786194

SCHEMBL3786194

CC(C)(C)OC(=O)NC1CCN(C(=O)c2nc3c(C(F)(F)F)cc(-c4ccoc4)cn3c2Cl)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 2/20 0.39
▸ CFTR P13569 2/20 0.39
▸ HDAC4 P56524 2/20 0.39
▸ EPHX2 P34913 2/20 0.38
▸ GPR119 Q8TDV5 1/20 0.38
▸ TYRO3 Q06418 2/20 0.37
▸ MERTK Q12866 2/20 0.37
▸ PDE4B Q07343 1/20 0.37
▸ PDE11A Q9HCR9 1/20 0.37
▸ PDE10A Q9Y233 1/20 0.37
▸ NAMPT P43490 1/20 0.37
▸ ADORA2A P29274 3/20 0.37
▸ ADORA3 P0DMS8 2/20 0.37
▸ ADORA2B P29275 2/20 0.37
▸ MCL1 Q07820 1/20 0.37
▸ HDAC6 Q9UBN7 1/20 0.36
▸ CKS1B P61024 1/20 0.36
▸ SKP1 P63208 1/20 0.36
▸ SKP2 Q13309 1/20 0.36
▸ SYK P43405 1/20 0.36

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
SCHEMBL3702349 0.96 ADORA2A (0.41) PARP1CFTRHDAC4GPR119TYRO3
SCHEMBL7492843 0.96 ADORA2A (0.41) PARP1CFTRHDAC4GPR119TYRO3
SCHEMBL3688495 0.93 CFTR (0.37) CFTRHDAC4GPR119PDE4BPDE11A
SCHEMBL3788622 0.90 EPHX2 (0.41) HDAC4EPHX2TYRO3MERTK
SCHEMBL7500241 0.86 TYRO3 (0.38) HDAC4EPHX2TYRO3MERTKADORA2A
SCHEMBL3683862 0.86 TYRO3 (0.38) HDAC4EPHX2TYRO3MERTKADORA2A
SCHEMBL3797177 0.85 TYRO3 (0.39) EPHX2TYRO3MERTK
SCHEMBL3790725 0.85 EPHX2 (0.38) HDAC4EPHX2TYRO3MERTKADORA2A
SCHEMBL13228548 0.84 EPHX2 (0.34) HDAC4EPHX2TYRO3MERTKPDE4B
SCHEMBL3792581 0.84 EPHX2 (0.34) HDAC4EPHX2TYRO3MERTKPDE4B

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-20100204265-A1 Certain Nitrogen Containing Bicyclic Chemical Entities for Treating Viral Infections GENELABS TECHNOLOGIES, INC. 2010-08-12 — — US disclosed
WO-2010091409-A1 CERTAIN NITROGEN CONTAINING BICYCLIC CHEMICAL ENTITIES FOR TREATING VIRAL INFECTIONS GLAXOSMITHKLINE LLC (US) 2010-08-12 — — WO disclosed
WO-2010091409-A1 CERTAIN NITROGEN CONTAINING BICYCLIC CHEMICAL ENTITIES FOR TREATING VIRAL INFECTIONS GLAXOSMITHKLINE LLC (US) 2010-08-12 — — WO disclosed
US-20100204265-A1 Certain Nitrogen Containing Bicyclic Chemical Entities for Treating Viral Infections GENELABS TECHNOLOGIES, INC. 2010-08-12 — — US disclosed
US-20100204265-A1 Certain Nitrogen Containing Bicyclic Chemical Entities for Treating Viral Infections GENELABS TECHNOLOGIES, INC. 2010-08-12 — — 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-20100204265-A1 Certain Nitrogen Containing Bicyclic Chemical Entities for Treating Viral Infections OAT, HAVCR2, CPS1 PARP1 2722/4885CFTR 2042/4885HDAC4 1478/4885

“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.