SCHEMBL848658

SCHEMBL848658

Cn1cc(C(=O)C=Cc2ccc(C(F)(F)F)nc2Nc2ccccc2)cn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
PTGS1 P23219 5/20 0.39
CCNC P24863 1/20 0.39
CDK8 P49336 1/20 0.39
TRPV1 Q8NER1 1/20 0.38
EGLN1 Q9GZT9 1/20 0.37
CDK19 Q9BWU1 2/20 0.36
ALK Q9UM73 2/20 0.36
ABCG2 Q9UNQ0 1/20 0.36
AURKB Q96GD4 2/20 0.36
GSK3A P49840 1/20 0.36
GSK3B P49841 1/20 0.36

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
SCHEMBL848659 0.80 HDAC2 (0.43) PTGS1CCNCCDK8CDK19ALK
SCHEMBL3787447 0.80 RHOA (0.42) KDM4EALDH1A1NFKB1TRPV1GSK3A
SCHEMBL3787445 0.80 RHOA (0.42) KDM4EALDH1A1NFKB1TRPV1GSK3A
SCHEMBL846962 0.71 JAK3 (0.38) NPC1RAB9AALDH1A1SMN1; SMN2TRPV1
SCHEMBL3784986 0.68 TRPV1 (0.40) KDM4ETRPV1
SCHEMBL3784989 0.68 TRPV1 (0.40) KDM4ETRPV1
SCHEMBL16530209 0.68 GSK3A (0.46) SMN1; SMN2ABCG2GSK3AGSK3BMAOB
SCHEMBL12984170 0.67 APP (0.46) NPC1RAB9AABCG2MAOB
SCHEMBL12984172 0.67 APP (0.46) NPC1RAB9AABCG2MAOB
SCHEMBL13063285 0.66 TRPV1 (0.41) KDM4EALDH1A1NFKB1TRPV1

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 5 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-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 NPC1 1726/4885RAB9A 669/4885KDM4E 3326/4885

“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.