SCHEMBL2749700

SCHEMBL2749700

Nc1ncc(-c2cccc(C(=O)N3CCCC3)c2)cc1-c1nc2ccccc2s1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ATR Q13535 7/20 0.52
FYN P06241 1/20 0.51
LRRK2 Q5S007 1/20 0.49
UBE2M P61081 2/20 0.46
DCUN1D1 Q96GG9 2/20 0.46
ALDH1A1 P00352 1/20 0.46
GAA P10253 1/20 0.46
GFER P55789 1/20 0.46
HPGD P15428 5/20 0.45
FASN P49327 1/20 0.44
BMPR1B O00238 1/20 0.44
BMPR1A P36894 1/20 0.44
TGFBR1 P36897 1/20 0.44
ACVRL1 P37023 1/20 0.44
ACVR1 Q04771 1/20 0.44
MAP4K4 O95819 1/20 0.44
EGLN1 Q9GZT9 1/20 0.44
LMNA P02545 1/20 0.43

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
SCHEMBL2750571 0.99 ATR (0.51) ATRFYNLRRK2UBE2MDCUN1D1
SCHEMBL2749870 0.92 FYN (0.59) ATRFYNLRRK2ALDH1A1HPGD
SCHEMBL2750485 0.92 FYN (0.53) ATRFYNLRRK2UBE2MDCUN1D1
SCHEMBL2749343 0.92 FYN (0.62) ATRFYNLRRK2UBE2MDCUN1D1
SCHEMBL2750408 0.92 ATR (0.57) ATRFYNUBE2MDCUN1D1ALDH1A1
SCHEMBL2749524 0.90 ATR (0.50) ATRFYNLRRK2UBE2MDCUN1D1
SCHEMBL2747441 0.90 FASN (0.52) ATRLRRK2HPGDFASNMAP4K4
SCHEMBL2750442 0.89 ATR (0.55) ATRFYNLRRK2UBE2MDCUN1D1
SCHEMBL2747927 0.88 ATR (0.55) ATRFYNLRRK2UBE2MDCUN1D1
SCHEMBL2748424 0.87 LRRK2 (0.44) ATRFYNLRRK2UBE2MDCUN1D1

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 ATR 347/4885FYN 75/4885LRRK2 175/4885

“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.