SCHEMBL847754

SCHEMBL847754

CON(C)C(=O)c1ccc(F)cc1Nc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 9/20 0.49
AKR1C2 P52895 9/20 0.49
MAPT P10636 3/20 0.44
ALOX15 P16050 1/20 0.44
SMO Q99835 4/20 0.44
JAK2 O60674 1/20 0.42
JAK1 P23458 1/20 0.42
TYK2 P29597 1/20 0.42
PDE4D Q08499 1/20 0.42
GFER P55789 1/20 0.41
NGLY1 Q96IV0 1/20 0.41
MPO P05164 1/20 0.39
HTT P42858 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL14576268 0.86 HTT (0.46) AKR1C3AKR1C2MAPTSMOJAK2
SCHEMBL12983587 0.84 AKR1C3 (0.49) AKR1C3AKR1C2MAPTALOX15GFER
SCHEMBL1958267 0.82 MAPT (0.67) AKR1C3AKR1C2MAPTALOX15JAK2
SCHEMBL7844253 0.79 AKR1C3 (0.51) AKR1C3AKR1C2MAPTALOX15JAK2
SCHEMBL955192 0.78 TRPM8 (0.37) MAPTHTTSMN1; SMN2MEN1KMT2A
SCHEMBL848085 0.78 AKR1C3 (0.60) AKR1C3AKR1C2MAPTJAK2JAK1
SCHEMBL957221 0.76 CHRNA7 (0.39) MAPTJAK2HTTNPC1RAB9A
SCHEMBL6710893 0.75 CES2 (0.53) MAPTHTTKMT2A
SCHEMBL846947 0.75 AKR1C3 (0.47) AKR1C3AKR1C2MAPTALOX15JAK2
SCHEMBL14575409 0.75 AKR1C3 (0.47) AKR1C3AKR1C2MAPTALOX15JAK2

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2731932-B1 AMINOMETHYL QUINOLONE COMPOUNDS HOFFMANN LA ROCHE (CH) 2015-12-30 EP disclosed
EP-2731932-B1 AMINOMETHYL QUINOLONE COMPOUNDS HOFFMANN LA ROCHE (CH) 2015-12-30 EP disclosed
EP-2731932-A1 AMINOMETHYL QUINOLONE COMPOUNDS F.HOFFMANN-LA ROCHE AG (CH) 2014-05-21 EP disclosed
US-8501732-B2 Aminomethyl quinolone compounds HOFFMANN-LA ROCHE INC. (US) 2013-08-06 US disclosed
US-8501732-B2 Aminomethyl quinolone compounds HOFFMANN-LA ROCHE INC. (US) 2013-08-06 US disclosed
US-8501732-B2 Aminomethyl quinolone compounds HOFFMANN-LA ROCHE INC. (US) 2013-08-06 US disclosed
US-20130018043-A1 AMINOMETHYL QUINOLONE COMPOUNDS BILOTTA JOSEPH A (US) 2013-01-17 US disclosed
US-20130018043-A1 AMINOMETHYL QUINOLONE COMPOUNDS BILOTTA JOSEPH A (US) 2013-01-17 US disclosed
US-20130018043-A1 AMINOMETHYL QUINOLONE COMPOUNDS BILOTTA JOSEPH A (US) 2013-01-17 US disclosed
WO-2013007676-A1 AMINOMETHYL QUINOLONE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2013-01-17 WO disclosed
WO-2013007676-A1 AMINOMETHYL QUINOLONE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2013-01-17 WO disclosed
US-8163906-B2 Dihydroquinone and dihydronaphthridine inhibitors of JNK ROCHE PALO ALTO, LLC (US) 2012-04-24 US disclosed
EP-2148862-B1 DIHYDROQUINONE AND DIHYDRONAPHTHRIDINE INHIBITORS OF JNK HOFFMANN LA ROCHE (CH) 2012-03-28 EP disclosed
EP-2148862-A1 DIHYDROQUINONE AND DIHYDRONAPHTHRIDINE INHIBITORS OF JNK F. Hoffmann-Roche AG (CH) 2010-02-03 EP disclosed
WO-2008138920-A1 DIHYDROQUINONE AND DIHYDRONAPHTHRIDINE INHIBITORS OF JNK F. HOFFMANN-LA ROCHE AG (CH) 2008-11-20 WO disclosed
US-20080287458-A1 Dihydroquinone and dihydronaphthridine inhibitors of JNK ROCHE PALO ALTO LLC 2008-11-20 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 (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-20130018043-A1 AMINOMETHYL QUINOLONE COMPOUNDS MAP3K1, MAP3K11, MAP3K5 AKR1C3 2033/4885AKR1C2 1403/4885MAPT 1251/4885
US-20080287458-A1 Dihydroquinone and dihydronaphthridine inhibitors of JNK MAPK9, MAPK10, MAPK1 AKR1C3 1069/4885AKR1C2 1207/4885MAPT 3733/4885

“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.