SCHEMBL846982

SCHEMBL846982

CC(=O)c1ccc(C)nc1Nc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.44
KMT2A Q03164 5/20 0.44
MEN1 O00255 4/20 0.44
ALDH1A1 P00352 3/20 0.44
GAA P10253 2/20 0.44
DHODH Q02127 1/20 0.44
RAB9A P51151 4/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
POLB P06746 1/20 0.42
TP53 P04637 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPC1 O15118 4/20 0.42
GBA1 P04062 1/20 0.42
GUSB P08236 1/20 0.42
AKR1C3 P42330 1/20 0.41
AKR1C2 P52895 1/20 0.41
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
MAPK1 P28482 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL8171612 0.89 DHODH (0.57) MAPTKMT2AMEN1ALDH1A1GAA
SCHEMBL10169191 0.86 MAPK8 (0.54) MAPTKMT2AGAARAB9ASMN1; SMN2
SCHEMBL12715339 0.84 MAPT (0.54) MAPTKMT2AMEN1ALDH1A1GAA
SCHEMBL14617173 0.83 GAA (0.46) MAPTKMT2AMEN1ALDH1A1GAA
SCHEMBL25941912 0.83 KMT2A (0.43) MAPTKMT2AMEN1ALDH1A1GAA
SCHEMBL849309 0.79 SYK (0.44) MAPTKMT2AMEN1ALDH1A1GAA
SCHEMBL14617172 0.79 ALDH1A1 (0.39) MAPTKMT2AMEN1ALDH1A1GAA
SCHEMBL848595 0.79 KMT2A (0.53) MAPTKMT2AMEN1ALDH1A1GAA
SCHEMBL27389246 0.78 MAPT (0.46) MAPTKMT2AMEN1ALDH1A1GAA
SCHEMBL12647214 0.78 KDM4E (0.49) MAPTALDH1A1RAB9ASMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-2009015917-A2 DIHYDROQUINONE AND DIHYDRONAPHTHRIDINE INHIBITORS OF JNK F. HOFFMANN-LA ROCHE AG (CH) 2009-02-05 WO 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 (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-20080287458-A1 Dihydroquinone and dihydronaphthridine inhibitors of JNK MAPK9, MAPK10, MAPK1 MAPT 3733/4885KMT2A 2156/4885MEN1 4324/4885

“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.