SCHEMBL848168

SCHEMBL848168

COC(=O)c1c(C(Cc2ccccc2)C2=COCO2)c(=O)c2cc(OC)ccc2n1-c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 5/20 0.45
MAPK8 P45983 12/20 0.43
MAPK9 P45984 1/20 0.40
KDM4E B2RXH2 1/20 0.40
EDNRB P24530 1/20 0.40
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
BCL2 P10415 1/20 0.39
MCL1 Q07820 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
SCHEMBL847743 0.93 MAPK8 (0.51) EDNRAMAPK8MAPK9
SCHEMBL849556 0.90 MAPK8 (0.50) MAPK8MAPK9
SCHEMBL848643 0.90 MAPK8 (0.47) MAPK8MAPK9
SCHEMBL847035 0.79 PABPC1 (0.42) MAPK8MAPK9KDM4EMAPT
SCHEMBL848167 0.72 EDNRA (0.60) EDNRAMAPK8MAPK9EDNRBMAPT
SCHEMBL10758715 0.72 KDM4E (0.58) EDNRAMAPK8KDM4EMAPTHTT
SCHEMBL9536907 0.70 KDM4E (0.54) EDNRAMAPK8MAPK9KDM4EEDNRB
SCHEMBL9539511 0.70 KDM4E (0.58) EDNRAMAPK8KDM4EMAPTHTT
SCHEMBL9534704 0.68 KDM4E (0.53) EDNRAMAPK8KDM4EMAPTHTT
SCHEMBL9534868 0.68 MEN1 (0.54) EDNRAMAPK8KDM4EMAPTHTT

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 3 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
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 EDNRA 1204/4885MAPK8 12/4885MAPK9 1/4885

“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.