SCHEMBL3689295

SCHEMBL3689295

COC(=O)Cc1c(C(=O)OC)nc2c(C(F)(F)F)cc(Br)cn12

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
L3MBTL1 Q9Y468 1/20 0.40
NOTUM Q6P988 3/20 0.37
KDM4E B2RXH2 4/20 0.34
ALDH1A1 P00352 4/20 0.34
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
RAB9A P51151 1/20 0.34
CFTR P13569 2/20 0.33
HSD17B10 Q99714 1/20 0.33
GALR3 O60755 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP2C19 P33261 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
S1PR4 O95977 1/20 0.31

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
SCHEMBL3690213 0.83 NOTUM (0.44) MEN1KMT2ANOTUMKDM4EALDH1A1
SCHEMBL1583159 0.81 NOTUM (0.40) MEN1KMT2ANOTUMKDM4EALDH1A1
SCHEMBL3064176 0.80 NOTUM (0.39) MEN1KMT2ANOTUMKDM4EALDH1A1
SCHEMBL3683681 0.74 PTGS1 (0.50) KMT2AL3MBTL1KDM4EALDH1A1MAPT
SCHEMBL13090307 0.74 POLB (0.40) L3MBTL1KDM4EALDH1A1MAPTCYP1A2
SCHEMBL1583462 0.72 NOTUM (0.42) MEN1KMT2ANOTUMKDM4EALDH1A1
SCHEMBL3058871 0.72 POLB (0.39) L3MBTL1KDM4EALDH1A1MAPTRAB9A
SCHEMBL3686255 0.72 MEN1 (0.36) MEN1KMT2AL3MBTL1KDM4EALDH1A1
SCHEMBL3689267 0.71 PTGER1 (0.36) CFTRGALR3RXFP1
SCHEMBL1583390 0.70 RXFP1 (0.47) MEN1KMT2ANOTUMKDM4EALDH1A1

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
EP-2187883-A2 NITROGEN CONTAINING BICYCLIC CHEMICAL ENTITIES FOR TREATING VIRAL INFECTIONS GENELABS TECHNOLOGIES, INC. (US) 2010-05-26 EP 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 MEN1 4257/4885KMT2A 3145/4885L3MBTL1 3542/4885
US-20090176778-A1 Certain nitrogen containing bicyclic chemical entities for treating viral infections OAT, HAVCR2, CPS1 MEN1 4257/4885KMT2A 3145/4885L3MBTL1 3542/4885

“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.