SCHEMBL2869802

SCHEMBL2869802

O=C(O)CC1CCN(c2ncc(-c3cccc(Nc4cnccn4)n3)s2)CC1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 10/20 0.42
KARS1 Q15046 2/20 0.42
SYK P43405 4/20 0.39
CHEK1 O14757 1/20 0.38
CHEK2 O96017 1/20 0.38
KDR P35968 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
GRIN2B Q13224 1/20 0.37

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
SCHEMBL2866277 0.91 FFAR4 (0.43) FFAR4SYKKDR
Hydrochloric Acid SCHEMBL2862218 0.90 FFAR4 (0.43) FFAR4SYKKDR
SCHEMBL13136503 0.88 FFAR4 (0.44) FFAR4SYK
SCHEMBL13136483 0.87 FFAR4 (0.43) FFAR4SYKKDR
SCHEMBL2868310 0.87 SYK (0.53) FFAR4SYK
SCHEMBL2872058 0.87 SYK (0.53) FFAR4KARS1SYK
SCHEMBL2862487 0.87 SYK (0.47) FFAR4SYKKDR
Hydrochloric Acid SCHEMBL2863199 0.86 SYK (0.52) FFAR4SYK
Hydrochloric Acid SCHEMBL2865374 0.86 SYK (0.53) FFAR4KARS1SYK
Hydrochloric Acid SCHEMBL2870194 0.86 SYK (0.46) FFAR4SYKKDR

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7803801-B2 Aminopyridine compounds having Syk inhibitory activity JAPAN TOBACCO, INC. (JP) 2010-09-28 US claimed
EP-1854793-A1 NOVEL AMINOPYRIDINE COMPOUND WITH Syk INHIBITORY ACTIVITY Japan Tobacco, Inc. (JP) 2007-11-14 EP claimed
US-20060205731-A1 Novel aminopyridine compounds having Syk inhibitory activity JAPAN TOBACCO INC. (JP) 2006-09-14 US claimed
US-7803801-B2 Aminopyridine compounds having Syk inhibitory activity JAPAN TOBACCO, INC. (JP) 2010-09-28 US disclosed
US-7803801-B2 Aminopyridine compounds having Syk inhibitory activity JAPAN TOBACCO, INC. (JP) 2010-09-28 US disclosed
US-7803801-B2 Aminopyridine compounds having Syk inhibitory activity JAPAN TOBACCO, INC. (JP) 2010-09-28 US disclosed
EP-1854793-A1 NOVEL AMINOPYRIDINE COMPOUND WITH Syk INHIBITORY ACTIVITY Japan Tobacco, Inc. (JP) 2007-11-14 EP disclosed
US-20060205731-A1 Novel aminopyridine compounds having Syk inhibitory activity JAPAN TOBACCO INC. (JP) 2006-09-14 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-20060205731-A1 Novel aminopyridine compounds having Syk inhibitory activity SYK, BTK, ZAP70 FFAR4 3340/4885KARS1 2175/4885SYK 1/4885

“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.