SCHEMBL3686255

SCHEMBL3686255

COC(=O)Cc1c(C(=O)O)nc2c(C(F)(F)F)cc(-c3ccoc3)cn12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ERN1 O75460 1/20 0.35
NR4A2 P43354 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
SYK P43405 1/20 0.31
KDM4E B2RXH2 2/20 0.31
CYP1A2 P05177 2/20 0.31
ALDH1A1 P00352 1/20 0.31
THRB P10828 1/20 0.31
BLM P54132 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
LDHA P00338 1/20 0.31
RXFP1 Q9HBX9 2/20 0.30
PKM P14618 1/20 0.30
CYP2C19 P33261 1/20 0.30
ADORA3 P0DMS8 1/20 0.30
ADORA2A P29274 1/20 0.30
ADORA2B P29275 1/20 0.30
ADORA1 P30542 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
SCHEMBL3687666 0.89 ERN1 (0.38) ERN1
SCHEMBL3687283 0.83 PKM (0.39) MEN1KMT2AL3MBTL1KDM4EALDH1A1
SCHEMBL3650160 0.80 RAB9A (0.37) ALDH1A1TYRO3MERTK
SCHEMBL1583475 0.80 ERN1 (0.40) ERN1LDHA
SCHEMBL1583247 0.80 ERN1 (0.40) ERN1LDHARXFP1PKM
SCHEMBL3685804 0.80 ERN1 (0.40) ERN1LDHA
SCHEMBL1583278 0.79 ERN1 (0.40) ERN1LDHARXFP1PKM
SCHEMBL1583806 0.79 NR4A2 (0.39) MEN1KMT2AERN1NR4A2KDM4E
SCHEMBL3793277 0.79 NOTUM (0.41) MEN1KMT2AERN1NR4A2KDM4E
SCHEMBL3688527 0.79 PTGS1 (0.41) KMT2AERN1

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 3145/4885ERN1 237/4885
US-20090176778-A1 Certain nitrogen containing bicyclic chemical entities for treating viral infections OAT, HAVCR2, CPS1 MEN1 4257/4885KMT2A 3145/4885ERN1 237/4885

“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.