SCHEMBL2749415

SCHEMBL2749415

Nc1ncc(-c2ccc(C(=O)N3CCOCC3)cc2)cc1-c1nc2ccccc2s1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 8/20 0.59
LRRK2 Q5S007 2/20 0.56
NPC1 O15118 1/20 0.53
ALDH1A1 P00352 1/20 0.53
MAPT P10636 1/20 0.53
PKM P14618 1/20 0.53
RAB9A P51151 1/20 0.53
FASN P49327 1/20 0.50
MKNK1 Q9BUB5 2/20 0.49
MKNK2 Q9HBH9 2/20 0.49
ATR Q13535 2/20 0.49
PTGS2 P35354 1/20 0.49
EIF4E P06730 1/20 0.49
BMPR1B O00238 1/20 0.49
BMPR1A P36894 1/20 0.49
TGFBR1 P36897 1/20 0.49
ACVRL1 P37023 1/20 0.49
ACVR1 Q04771 1/20 0.49
TSHR P16473 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL2747441 0.91 FASN (0.52) KCNH2LRRK2FASNATRHPGD
SCHEMBL2750087 0.89 KCNH2 (0.60) KCNH2LRRK2NPC1ALDH1A1RAB9A
SCHEMBL2747968 0.85 ALDH1A1 (0.58) KCNH2LRRK2NPC1ALDH1A1MAPT
SCHEMBL2749378 0.83 MAP4K4 (0.65) NPC1ALDH1A1MAPTRAB9AMKNK1
SCHEMBL2749700 0.82 ATR (0.52) LRRK2ALDH1A1FASNATRBMPR1B
SCHEMBL2748144 0.82 CHEK2 (0.62) NPC1RAB9AMKNK1
SCHEMBL2750571 0.81 ATR (0.51) LRRK2NPC1ALDH1A1RAB9AFASN
SCHEMBL2748024 0.81 MET (0.49) LRRK2NPC1ALDH1A1MAPTPKM
SCHEMBL2749343 0.80 FYN (0.62) KCNH2LRRK2NPC1ALDH1A1MAPT
SCHEMBL2750485 0.80 FYN (0.53) KCNH2LRRK2ALDH1A1MAPTRAB9A

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 KCNH2 1141/4885LRRK2 175/4885NPC1 3311/4885

“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.