SCHEMBL2749692

SCHEMBL2749692

C[C@@H]1CN(C(=O)c2cccc(-c3cnc(N)c(-c4nc5ccccc5s4)c3)c2)C[C@H](C)N1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FYN P06241 2/20 0.45
CDK1 P06493 2/20 0.43
CDK2 P24941 2/20 0.43
MKNK1 Q9BUB5 2/20 0.43
MKNK2 Q9HBH9 2/20 0.43
LRRK2 Q5S007 1/20 0.43
ATR Q13535 8/20 0.42
UBE2M P61081 3/20 0.40
DCUN1D1 Q96GG9 3/20 0.40
MAP4K4 O95819 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
GFER P55789 1/20 0.40
LMNA P02545 1/20 0.40
MET P08581 2/20 0.39
IRAK4 Q9NWZ3 1/20 0.38

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
SCHEMBL2749695 1.00 FYN (0.45) FYNCDK1CDK2MKNK1MKNK2
SCHEMBL2749334 0.90 FYN (0.47) FYNCDK1CDK2MKNK1MKNK2
SCHEMBL2748832 0.90 HSD17B10 (0.47) FYNCDK1CDK2MKNK1MKNK2
SCHEMBL2748836 0.90 HSD17B10 (0.47) FYNCDK1CDK2MKNK1MKNK2
SCHEMBL2749333 0.90 FYN (0.47) FYNCDK1CDK2MKNK1MKNK2
SCHEMBL2749700 0.86 ATR (0.52) FYNLRRK2ATRUBE2MDCUN1D1
SCHEMBL2750485 0.85 FYN (0.53) FYNCDK1CDK2MKNK1MKNK2
SCHEMBL2749343 0.85 FYN (0.62) FYNLRRK2ATRUBE2MDCUN1D1
SCHEMBL2750571 0.85 ATR (0.51) FYNLRRK2ATRUBE2MDCUN1D1
SCHEMBL2747927 0.85 ATR (0.55) FYNLRRK2ATRUBE2MDCUN1D1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8178668-B2 2-aminopyridine kinase inhibitors OSI Pharmaceuticals, LLC (US) 2012-05-15 US disclosed
EP-2265270-A1 2-AMINOPYRIDINE KINASE INHIBITORS OSI Pharmaceuticals, Inc. (US) 2010-12-29 EP disclosed
WO-2009099982-A1 2-AMINOPYRIDINE KINASE INHIBITORS OSI PHARMACEUTICALS, INC. (US) 2009-08-13 WO disclosed
US-20090197862-A1 2-AMINOPYRIDINE KINASE INHIBITORS OSI PHARMACEUTICALS, INC. 2009-08-06 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-20090197862-A1 2-AMINOPYRIDINE KINASE INHIBITORS ERBB2, ABL2, TIE1 FYN 75/4885CDK1 298/4885CDK2 191/4885

“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.