SCHEMBL1638544

SCHEMBL1638544

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

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.54
TLR8 Q9NR97 5/20 0.49
TLR7 Q9NYK1 6/20 0.48
JAK2 O60674 2/20 0.45
JAK1 P23458 2/20 0.45
TYK2 P29597 2/20 0.45
JAK3 P52333 2/20 0.45
ITK Q08881 1/20 0.43
ACSS2 Q9NR19 1/20 0.43
KDM4E B2RXH2 1/20 0.42
ALOX15 P16050 1/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL14426286 0.86 TLR8 (0.55) TLR8TLR7JAK2JAK1TYK2
SCHEMBL25089560 0.85 CNR2 (0.49) MAPTTLR7ACSS2KDM4EALOX15
SCHEMBL1637181 0.83 KDM4E (0.42) TLR8TLR7ACSS2KDM4E
SCHEMBL30676114 0.81 ACSS2 (0.46) MAPTACSS2KDM4EALOX15HTT
SCHEMBL20266433 0.81 ACSS2 (0.46) MAPTACSS2KDM4EALOX15HTT
SCHEMBL23901856 0.76 KLK1 (0.50) MAPTJAK2JAK1TYK2JAK3
SCHEMBL31721245 0.75 HTT (0.49) MAPTACSS2KDM4EALOX15HTT
SCHEMBL3596405 0.75 NPC1 (0.61) MAPTACSS2KDM4EALOX15HTT
SCHEMBL9570434 0.75 KDM4E (0.54) MAPTKDM4E
SCHEMBL9597830 0.75 KDM4E (0.54) MAPTKDM4E

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
EP-1724263-B1 BASIC AMINE COMPOUND AND USE THEREOF KUREHA CORP (JP) 2014-03-05 EP disclosed
US-20110172212-A1 AMINE-BASED COMPOUND AND USE THEREOF KUREHA CORPORATION (JP) 2011-07-14 US disclosed
US-7932281-B2 Amine-based compound and use thereof KUREHA CORPORATION (JP) 2011-04-26 US disclosed
US-20070208007-A1 Amine-Based Compound and Use Thereof KUREHA CORPORATION (JP) 2007-09-06 US disclosed
EP-1724263-A1 BASIC AMINE COMPOUND AND USE THEREOF Kureha Corporation (JP) 2006-11-22 EP 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-20110172212-A1 AMINE-BASED COMPOUND AND USE THEREOF NR0B2, NR5A2, NR1D2 MAPT 3333/4885TLR8 1484/4885TLR7 761/4885
US-20070208007-A1 Amine-Based Compound and Use Thereof NR0B2, NR5A2, NR2E1 MAPT 3184/4885TLR8 1783/4885TLR7 778/4885

“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.