SCHEMBL3596405

SCHEMBL3596405

COC(=O)c1ccc2nc(C)n(C)c2c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.61
RAB9A P51151 4/20 0.61
LMNA P02545 3/20 0.61
MAPT P10636 2/20 0.61
KDM4E B2RXH2 3/20 0.57
HTT P42858 2/20 0.49
ALOX15 P16050 1/20 0.49
CHRM4 P08173 2/20 0.47
ACSS2 Q9NR19 1/20 0.47
POLB P06746 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
FGFR1 P11362 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
ALDH1A1 P00352 2/20 0.45
ESRRA P11474 1/20 0.44
PIK3CA P42336 1/20 0.44
PIK3CB P42338 1/20 0.44
PIK3CG P48736 1/20 0.44
PI4KB Q9UBF8 1/20 0.44

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
SCHEMBL31489 0.88 RAB9A (0.72) NPC1RAB9ALMNAMAPTKDM4E
SCHEMBL29989068 0.88 RAB9A (0.72) NPC1RAB9ALMNAMAPTKDM4E
SCHEMBL31721245 0.85 HTT (0.49) NPC1RAB9ALMNAMAPTKDM4E
SCHEMBL18995951 0.84 KDM4E (0.51) NPC1RAB9ALMNAMAPTKDM4E
SCHEMBL27977754 0.84 HTT (0.48) NPC1RAB9ALMNAMAPTKDM4E
SCHEMBL6112749 0.83 RAB9A (0.60) NPC1RAB9ALMNAMAPTKDM4E
SCHEMBL18247596 0.83 TDP1 (0.53) NPC1RAB9ALMNAMAPTKDM4E
SCHEMBL19763373 0.82 CHEK2 (0.56) NPC1RAB9ALMNAMAPTKDM4E
SCHEMBL12732546 0.82 HDAC6 (0.52) NPC1RAB9AMAPTCHRM4ACSS2
SCHEMBL28317889 0.81 CHEK2 (0.57) NPC1RAB9ALMNAMAPTKDM4E

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-20100298314-A1 NOVEL JNK INHIBITORS SCHERING CORPORATION 2010-11-25 US disclosed
US-20100298314-A1 NOVEL JNK INHIBITORS SCHERING CORPORATION 2010-11-25 US disclosed
US-20100298314-A1 NOVEL JNK INHIBITORS SCHERING CORPORATION 2010-11-25 US disclosed
EP-2134713-A2 NOVEL JNK INHIBITORS SCHERING CORPORATION (US) 2009-12-23 EP disclosed
WO-2008082490-A2 NOVEL JNK INHIBITORS SCHERING CORPORATION (US) 2008-07-10 WO disclosed
WO-2008082490-A2 NOVEL JNK INHIBITORS SCHERING CORPORATION (US) 2008-07-10 WO 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-20100298314-A1 NOVEL JNK INHIBITORS MAPK1, MAPKAPK2, MAP4K2 NPC1 1606/4885RAB9A 1965/4885LMNA 4179/4885

“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.