SCHEMBL177401

SCHEMBL177401

CC(O)CC(N)COc1ccc2c(C(C)C)n[nH]c2c1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 12/20 0.41
CLK2 P49760 3/20 0.39
DYRK1A Q13627 2/20 0.39
CYP3A4 P08684 1/20 0.37
MAOA P21397 1/20 0.36
NPC1 O15118 1/20 0.33
TP53 P04637 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 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
Isopropyl Alcohol SCHEMBL177402 0.79 DYRK1A (0.40) CLK2DYRK1AMAOAHTT
SCHEMBL176911 0.77 DYRK1A (0.39) CLK2DYRK1AMAOA
SCHEMBL17229809 0.73 KDM4E (0.45) CLK2DYRK1ACYP3A4MAOAMAPT
SCHEMBL11963085 0.70 MAOA (0.51) MAOANPC1TP53GAAMAPT
SCHEMBL27838922 0.68 GABRA1 (0.43) GAA
SCHEMBL176726 0.67 PDPK1 (0.54) CYP3A4GAAMAPT
Hydrochloric Acid SCHEMBL177233 0.66 PDPK1 (0.53) CYP3A4GAAMAPT
SCHEMBL12090196 0.65 ITK (0.47)
SCHEMBL18806213 0.65 KIF11 (0.47) CLK2DYRK1ANPC1TP53RAB9A
SCHEMBL24991934 0.65 KIF11 (0.44) NPC1TP53GAAMAPTRAB9A

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-8008506-B2 Indazole compounds ASAHI KASEI PHARMA CORPORATION (JP) 2011-08-30 US disclosed
EP-2345644-A1 INDAZOLE COMPOUND Asahi Kasei Pharma Corporation (JP) 2011-07-20 EP disclosed
US-20100160256-A1 INDAZOLE COMPOUNDS ASAHI KASEI PHARMA CORPORATION (JP) 2010-06-24 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-20100160256-A1 INDAZOLE COMPOUNDS GPR119, ADRB1, ADRA1A AAK1 1098/4885CLK2 2318/4885DYRK1A 2467/4885

“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.