SCHEMBL847717

SCHEMBL847717

COc1ccc(CCC(=O)c2ccc(C)nc2Nc2ccccc2)cn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 6/20 0.42
▸ MEN1 O00255 5/20 0.42
▸ LMNA P02545 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ PKM P14618 1/20 0.41
▸ NAMPT P43490 1/20 0.40
▸ PABPC1 P11940 3/20 0.39
▸ MAPK8 P45983 2/20 0.38
▸ MAPK9 P45984 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ BTK Q06187 1/20 0.38
▸ PIK3CD O00329 1/20 0.38
▸ PIK3CA P42336 1/20 0.38
▸ PIK3CB P42338 1/20 0.38
▸ PIK3CG P48736 1/20 0.38
▸ STAT6 P42226 1/20 0.38
▸ NPSR1 Q6W5P4 2/20 0.38
▸ EGFR P00533 1/20 0.37
▸ PDE4B Q07343 1/20 0.37

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
SCHEMBL848421 0.87 FAAH (0.41) KMT2AMEN1NPC1STAT6MAPK1
SCHEMBL847744 0.85 STAT6 (0.39) MAPK8BTKSTAT6EGFRPDE4B
SCHEMBL846959 0.85 FFAR1 (0.40) KMT2ALMNANPC1NAMPTMAPK8
SCHEMBL846971 0.84 STAT6 (0.38) MAPK8SMN1; SMN2BTKSTAT6EGFR
SCHEMBL847737 0.83 PDE4B (0.38) NAMPTMAPK8BTKSTAT6EGFR
SCHEMBL849127 0.82 STAT6 (0.37) MAPK8BTKSTAT6EGFRPDE4B
SCHEMBL848924 0.81 CYP1A2 (0.44) NAMPTALDH1A1
SCHEMBL1734187 0.74 CYP19A1 (0.57) KMT2AMEN1LMNANPC1PKM
SCHEMBL846972 0.74 MAPT (0.36) KMT2AMEN1NPC1MAPK8GAA
SCHEMBL14617173 0.73 GAA (0.46) KMT2AMEN1NPC1MAPK8GAA

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 KMT2A 2156/4885MEN1 4324/4885LMNA 3935/4885

“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.

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