SCHEMBL2747441

SCHEMBL2747441

Nc1ncc(-c2ccc(C(=O)N3CCCCC3)cc2)cc1-c1nc2ccccc2s1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FASN P49327 1/20 0.52
ATR Q13535 5/20 0.50
KCNH2 Q12809 7/20 0.48
HPGD P15428 5/20 0.48
PRKDC P78527 1/20 0.47
MAP4K4 O95819 1/20 0.47
LRRK2 Q5S007 1/20 0.45

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
SCHEMBL2749415 0.91 KCNH2 (0.59) FASNATRKCNH2HPGDLRRK2
SCHEMBL2750571 0.91 ATR (0.51) FASNATRHPGDMAP4K4LRRK2
SCHEMBL2750087 0.91 KCNH2 (0.60) FASNATRKCNH2HPGDLRRK2
SCHEMBL2749700 0.90 ATR (0.52) FASNATRHPGDMAP4K4LRRK2
SCHEMBL2749378 0.85 MAP4K4 (0.65) HPGDMAP4K4
SCHEMBL2748144 0.84 CHEK2 (0.62) MAP4K4
SCHEMBL2749811 0.83 TP53 (0.61) HPGDMAP4K4
SCHEMBL2749870 0.82 FYN (0.59) ATRKCNH2HPGDLRRK2
SCHEMBL2750408 0.82 ATR (0.57) ATR
SCHEMBL2749343 0.81 FYN (0.62) FASNATRKCNH2HPGDLRRK2

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 FASN 4513/4885ATR 347/4885KCNH2 1141/4885

“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.