SCHEMBL849309

SCHEMBL849309

CC(=O)c1ccc(C(F)(F)F)nc1Nc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SYK P43405 5/20 0.44
LMNA P02545 1/20 0.43
TAS2R14 Q9NYV8 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
GSK3A P49840 1/20 0.41
GSK3B P49841 1/20 0.41
TRPV1 Q8NER1 1/20 0.41
TP53 P04637 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MEN1 O00255 2/20 0.41
MAPT P10636 2/20 0.41
KMT2A Q03164 2/20 0.41
KDM4E B2RXH2 1/20 0.41
PTGS2 P35354 1/20 0.41
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
IDH2 P48735 1/20 0.40
DHODH Q02127 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
SCHEMBL12984259 0.88 DHODH (0.53) SYKLMNATAS2R14NPC1RAB9A
SCHEMBL30721208 0.88 DHODH (0.53) SYKLMNATAS2R14NPC1RAB9A
SCHEMBL29110319 0.86 MAPT (0.49) SYKLMNATAS2R14NPC1RAB9A
SCHEMBL22093021 0.86 MAPK8 (0.51) SYKLMNATAS2R14
SCHEMBL14575828 0.85 NPC1 (0.43) SYKLMNATAS2R14NPC1RAB9A
SCHEMBL29417547 0.85 NPC1 (0.43) SYKLMNATAS2R14NPC1RAB9A
SCHEMBL12983920 0.81 TUBB4A (0.41) SYKLMNATAS2R14NPC1RAB9A
SCHEMBL14604426 0.80 TRPV1 (0.48) SYKTAS2R14NPC1RAB9AGSK3A
SCHEMBL846982 0.79 MAPT (0.44) LMNANPC1RAB9ATP53SMN1; SMN2
SCHEMBL29305792 0.79 SYK (0.44) SYKTAS2R14NPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2694480-B1 ADAMANTYL COMPOUNDS HOFFMANN LA ROCHE (CH) 2015-03-04 EP disclosed
EP-2694480-A1 ADAMANTYL COMPOUNDS F.HOFFMANN-LA ROCHE AG (CH) 2014-02-12 EP disclosed
US-8471027-B2 Adamantyl compounds HOFFMANN-LA ROCHE INC. (US) 2013-06-25 US disclosed
US-8471027-B2 Adamantyl compounds HOFFMANN-LA ROCHE INC. (US) 2013-06-25 US disclosed
US-8471027-B2 Adamantyl compounds HOFFMANN-LA ROCHE INC. (US) 2013-06-25 US disclosed
US-20120258982-A1 ADAMANTYL COMPOUNDS CHEUNG ADRIAN WAI-HING (US) 2012-10-11 US disclosed
US-20120258982-A1 ADAMANTYL COMPOUNDS CHEUNG ADRIAN WAI-HING (US) 2012-10-11 US disclosed
WO-2012136684-A1 ADAMANTYL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2012-10-11 WO disclosed
US-20120258982-A1 ADAMANTYL COMPOUNDS CHEUNG ADRIAN WAI-HING (US) 2012-10-11 US 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-20120258982-A1 ADAMANTYL COMPOUNDS MAP3K1, MAP3K6, MAPKAPK2 SYK 1290/4885LMNA 2750/4885TAS2R14 4396/4885
US-20080287458-A1 Dihydroquinone and dihydronaphthridine inhibitors of JNK MAPK9, MAPK10, MAPK1 SYK 598/4885LMNA 3935/4885TAS2R14 3238/4885

“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.