SCHEMBL5952364

SCHEMBL5952364

CC(C)NC(=O)c1c[nH]nc1CO

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
JAK2 O60674 3/20 0.37
JAK1 P23458 3/20 0.37
JAK3 P52333 3/20 0.37
ALOX5 P09917 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
ADORA3 P0DMS8 1/20 0.37
ADORA2A P29274 1/20 0.37
ADORA2B P29275 1/20 0.37
ADORA1 P30542 1/20 0.37
GAA P10253 1/20 0.37
CYP1A2 P05177 1/20 0.37
ADRA1D P25100 1/20 0.36
ADRA1A P35348 1/20 0.36
ADRA1B P35368 1/20 0.36
CYP2C9 P11712 1/20 0.36
SYK P43405 1/20 0.36
LMNA P02545 1/20 0.35
PKM P14618 1/20 0.35
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL5952936 0.80 ALDH1A1 (0.36) ALDH1A1JAK2JAK1JAK3ALOX5
SCHEMBL13374013 0.78 MAPK1 (0.46) ALDH1A1SMN1; SMN2GAALMNAKDM4E
SCHEMBL5952351 0.78 DPP4 (0.43) ALDH1A1SMN1; SMN2GAAADRA1DADRA1A
SCHEMBL163544 0.77 ALDH1A1 (0.41) ALDH1A1JAK2JAK1JAK3ALOX5
SCHEMBL26332948 0.77 ALOX5 (0.40) ALDH1A1JAK2JAK1JAK3ALOX5
SCHEMBL5951752 0.74 HCAR2 (0.37) ALDH1A1CYP1A2LMNAKDM4EHTT
SCHEMBL5951950 0.74 TAS1R3 (0.41) ALDH1A1GAAADRA1DADRA1AADRA1B
SCHEMBL13374016 0.73 JAK2 (0.37) ALDH1A1JAK2JAK1JAK3ALOX5
SCHEMBL5951764 0.73 JAK2 (0.37) ALDH1A1JAK2JAK1JAK3ALOX5
SCHEMBL29391341 0.73 IKBKB (0.36) ALDH1A1GAAKDM4E

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 7 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-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 1389/4885JAK2 145/4885JAK1 72/4885
US-20040048868-A1 Benzimidazoles CDK9, BMX, CDKN1A ALDH1A1 862/4885JAK2 156/4885JAK1 14/4885

“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.