SCHEMBL2866037

SCHEMBL2866037

CC(=O)c1ccnc(Nc2cccc(-c3cnc(N4CCC[C@H]4C(N)=O)s3)n2)c1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 2/20 0.41
SYK P43405 14/20 0.41
MAP3K12 Q12852 1/20 0.39
KARS1 Q15046 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 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
SCHEMBL2866047 1.00 PIK3CA (0.41) PIK3CASYKMAP3K12KARS1NPC1
SCHEMBL2864941 0.93 SYK (0.45) SYKMAP3K12
SCHEMBL2864925 0.93 SYK (0.45) SYKMAP3K12
Hydrochloric Acid SCHEMBL2869940 0.92 SYK (0.45) SYKMAP3K12
Hydrochloric Acid SCHEMBL2869951 0.92 SYK (0.45) SYKMAP3K12
SCHEMBL2872192 0.90 SYK (0.51) PIK3CASYKMAP3K12KARS1
SCHEMBL2872202 0.90 SYK (0.51) PIK3CASYKMAP3K12KARS1
SCHEMBL2860418 0.88 SYK (0.51) PIK3CASYKKARS1
SCHEMBL2860405 0.88 SYK (0.51) PIK3CASYKKARS1
SCHEMBL2858943 0.88 SYK (0.45) PIK3CASYKMAP3K12

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 PIK3CA 1670/4885SYK 1/4885MAP3K12 798/4885

“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.