SCHEMBL848310

SCHEMBL848310

CC(=O)c1ccc(C)nc1NC(C)C

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.37
ACLY P53396 1/20 0.37
SORT1 Q99523 1/20 0.35
MAPK8 P45983 2/20 0.34
MAPK9 P45984 2/20 0.34
REN P00797 1/20 0.34
SYK P43405 2/20 0.33
RXFP1 Q9HBX9 1/20 0.33
EGFR P00533 3/20 0.33
KDM4E B2RXH2 1/20 0.33
PARP1 P09874 1/20 0.33
HCAR3 P49019 1/20 0.33
RAB9A P51151 1/20 0.33
MAPK1 P28482 1/20 0.33
LRRK2 Q5S007 1/20 0.32

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
SCHEMBL6647092 0.86 ACLY (0.49) SMN1; SMN2ACLYSORT1EGFRHCAR3
SCHEMBL848757 0.81 HCAR3 (0.42) KDM4EHCAR3RAB9A
SCHEMBL12647214 0.80 KDM4E (0.49) SMN1; SMN2ACLYSORT1RENEGFR
SCHEMBL12123834 0.75 MAPK8 (0.41) SMN1; SMN2MAPK8MAPK9SYKKDM4E
SCHEMBL848652 0.74 KDM4E (0.43) SYKKDM4ERAB9AMAPK1
SCHEMBL847497 0.74 SYK (0.45) SYKKDM4ERAB9AMAPK1
SCHEMBL847840 0.73 SYK (0.41) SYKKDM4EMAPK1
SCHEMBL846982 0.73 MAPT (0.44) SMN1; SMN2MAPK8KDM4ERAB9AMAPK1
SCHEMBL20256989 0.73 LDHA (0.46) SMN1; SMN2RXFP1KDM4EHCAR3RAB9A
SCHEMBL1640178 0.71 SMN1; SMN2 (0.58) SMN1; SMN2RXFP1PARP1RAB9A

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 SMN1; SMN2 3734/4885ACLY 3496/4885SORT1 4048/4885

“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.