SCHEMBL3784874

SCHEMBL3784874

O=C(O)c1nc2c(C(F)(F)F)cc(-c3ccoc3)cn2c1C1CC1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.38
TYRO3 Q06418 2/20 0.33
MERTK Q12866 2/20 0.33
MCHR1 Q99705 1/20 0.32
NT5E P21589 1/20 0.31
NOTUM Q6P988 3/20 0.31
RORC P51449 1/20 0.31
BRD4 O60885 1/20 0.31
KMO O15229 1/20 0.30

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
SCHEMBL3784694 0.88 NR4A2 (0.37) ERN1TYRO3MERTKMCHR1NOTUM
SCHEMBL3685804 0.83 ERN1 (0.40) ERN1NT5EKMO
SCHEMBL1583475 0.83 ERN1 (0.40) ERN1NT5EKMO
SCHEMBL1583247 0.83 ERN1 (0.40) ERN1NT5ENOTUMRORCKMO
SCHEMBL1583278 0.82 ERN1 (0.40) ERN1NT5ENOTUMRORCKMO
SCHEMBL3064063 0.81 ERN1 (0.46) ERN1NT5EKMO
SCHEMBL3687666 0.80 ERN1 (0.38) ERN1NT5EKMO
SCHEMBL3688527 0.80 PTGS1 (0.41) ERN1NT5EKMO
SCHEMBL13229034 0.79
SCHEMBL3788689 0.78 RBP4 (0.32) TYRO3MERTK

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
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
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 ERN1 237/4885TYRO3 4163/4885MERTK 1560/4885

“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.