SCHEMBL2869759

SCHEMBL2869759

CC(C)(C(=O)O)C1CCN(c2ncc(-c3cccc(Nc4ccccn4)n3)s2)CC1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SYK P43405 9/20 0.42
CDK4 P11802 2/20 0.39
CDK1 P06493 1/20 0.39
CCNE1 P24864 1/20 0.39
CDK2 P24941 1/20 0.39
CDK7 P50613 1/20 0.39
CDK9 P50750 1/20 0.39
CDK5 Q00535 1/20 0.39
BTK Q06187 2/20 0.38
MAP3K12 Q12852 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
SCHEMBL2863053 0.91 SYK (0.41) SYK
Hydrochloric Acid SCHEMBL2870295 0.91 SYK (0.41) SYK
SCHEMBL2869795 0.90 SYK (0.53) SYK
Hydrochloric Acid SCHEMBL2864178 0.89 SYK (0.52) SYK
SCHEMBL2863489 0.86 SYK (0.43) SYK
SCHEMBL13136505 0.86 SYK (0.43) SYKCDK4CDK1CCNE1CDK2
SCHEMBL13136504 0.84 SYK (0.41) SYKCDK4CDK1CCNE1CDK2
SCHEMBL2866277 0.84 FFAR4 (0.43) SYKCDK4CDK1CCNE1CDK2
Hydrochloric Acid SCHEMBL2862218 0.83 FFAR4 (0.43) SYKCDK4CDK1CCNE1CDK2
SCHEMBL2864583 0.83 SYK (0.40) SYKCDK4CDK1CCNE1CDK2

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 SYK 1/4885CDK4 1599/4885CDK1 538/4885

“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.