SCHEMBL5952936

SCHEMBL5952936

CC(C)NC(=O)c1c[nH]nc1COC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
PKM P14618 1/20 0.35
KDM4E B2RXH2 3/20 0.34
HTT P42858 1/20 0.34
JAK2 O60674 2/20 0.34
JAK1 P23458 2/20 0.34
JAK3 P52333 2/20 0.34
ALOX5 P09917 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA2B P29275 1/20 0.33
ADORA1 P30542 1/20 0.33
ADRA1D P25100 1/20 0.33
ADRA1A P35348 1/20 0.33
ADRA1B P35368 1/20 0.33
CYP1A2 P05177 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ALPL P05186 1/20 0.33

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
SCHEMBL5952664 0.81 POLB (0.40) ALDH1A1KDM4EHTTADRA1DADRA1A
SCHEMBL15705197 0.80 ALDH1A1 (0.30) ALDH1A1HTT
SCHEMBL5952397 0.80 USP2 (0.33) ALDH1A1KDM4EHTT
SCHEMBL5952364 0.80 ALDH1A1 (0.40) ALDH1A1PKMKDM4EHTTJAK2
SCHEMBL5952390 0.80 CNR2 (0.39) ALDH1A1PKMKDM4EADORA2AADORA1
SCHEMBL5952180 0.75 KMT2A (0.42) ALDH1A1KDM4EMEN1KMT2A
SCHEMBL13374016 0.74 JAK2 (0.37) ALDH1A1PKMKDM4EHTTJAK2
SCHEMBL163544 0.72 ALDH1A1 (0.41) ALDH1A1PKMKDM4EHTTJAK2
SCHEMBL26332948 0.72 ALOX5 (0.40) ALDH1A1PKMKDM4EHTTJAK2
SCHEMBL5951764 0.68 JAK2 (0.37) ALDH1A1PKMKDM4EHTTJAK2

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-8288425-B2 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2012-10-16 US disclosed
US-20060014756-A1 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2006-01-19 US disclosed
US-6897208-B2 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2005-05-24 US disclosed
EP-1441725-A1 BENZIMIDAZOLES AND ANALOGUES AND THEIR USE AS PROTEIN KINASES INHIBITORS Aventis Pharmaceuticals Inc. (US) 2004-08-04 EP disclosed
US-20040048868-A1 Benzimidazoles AVENTISUB LLC 2004-03-11 US disclosed
WO-2003035065-A1 BENZIMIDAZOLES AND ANALOGUES AND THEIR USE AS PROTEIN KINASES INHIBITORS AVENTIS PHARMACEUTICALS INC (US) 2003-05-01 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 (2 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-20060014756-A1 Benzimidazoles CDK9, BMX, SBK3 ALDH1A1 1389/4885PKM 57/4885KDM4E 522/4885
US-20040048868-A1 Benzimidazoles CDK9, BMX, CDKN1A ALDH1A1 862/4885PKM 91/4885KDM4E 645/4885

“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.