SCHEMBL3687772

SCHEMBL3687772

O=C(O)c1nc2c(C(F)(F)F)cc(C=Cc3ccccc3)cn2c1Cl

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
GRM4 Q14833 1/20 0.34
FAAH O00519 1/20 0.34
MGLL Q99685 1/20 0.34
MAOB P27338 3/20 0.34
LMNA P02545 2/20 0.34
MAPT P10636 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
KDM4E B2RXH2 1/20 0.34
HTT P42858 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CYP24A1 Q07973 1/20 0.34
GRIK1 P39086 1/20 0.33
CYP1A1 P04798 1/20 0.33
CYP1B1 Q16678 1/20 0.33
RORC P51449 2/20 0.33
PTPN1 P18031 2/20 0.33
ENPP3 O14638 1/20 0.33
ALPL P05186 1/20 0.33

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
SCHEMBL3687771 1.00 KMT2A (0.36) KMT2AMEN1GRM4FAAHMGLL
SCHEMBL3689623 0.83 LDHA (0.43) KMT2AMEN1LMNAMAPTSMN1; SMN2
SCHEMBL1583259 0.81 KMT2A (0.42) KMT2AFAAHLMNAMAPTSMN1; SMN2
SCHEMBL3694561 0.80 HAO1 (0.36) KMT2AMEN1GRM4LMNAMAPT
SCHEMBL1583236 0.80 EGLN1 (0.33) KMT2AMEN1LMNAMAPTSMN1; SMN2
SCHEMBL7498184 0.80 PKM (0.45) LMNAMAPTSMN1; SMN2KDM4EHTT
SCHEMBL1583276 0.79 EPRS1 (0.35) KMT2AMEN1LMNAMAPTSMN1; SMN2
SCHEMBL3066355 0.79 EGLN1 (0.32) KMT2AMEN1FAAHLMNAMAPT
SCHEMBL3696564 0.78 DHODH (0.38) MAPTSMN1; SMN2RORCMAOA
SCHEMBL3689283 0.77 NT5E (0.35) MAPTGRIK1RORC

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 KMT2A 3145/4885MEN1 4257/4885GRM4 3604/4885
US-20090176778-A1 Certain nitrogen containing bicyclic chemical entities for treating viral infections OAT, HAVCR2, CPS1 KMT2A 3145/4885MEN1 4257/4885GRM4 3604/4885

“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.