SCHEMBL2749503

SCHEMBL2749503

CN(C)CCCOc1ccc(-c2cnc(N)c(-c3nc4ccccc4s3)c2)cn1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FYN P06241 2/20 0.60
CHEK2 O96017 1/20 0.57
ATR Q13535 1/20 0.49
ILK Q13418 3/20 0.46
ATM Q13315 5/20 0.46
ATP4A P20648 4/20 0.45
ATP4B P51164 4/20 0.45
PIK3CD O00329 2/20 0.43
PIK3CA P42336 2/20 0.43
PIK3CB P42338 2/20 0.43
PI4KA P42356 2/20 0.43
PIK3CG P48736 2/20 0.43
PI4KB Q9UBF8 2/20 0.43
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43
ACVR1B P36896 1/20 0.42
TGFBR1 P36897 1/20 0.42

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
SCHEMBL2386262 0.79 FYN (0.60) FYNCHEK2ATRATM
SCHEMBL4621168 0.76 CHEK2 (0.77) FYNCHEK2ATRATMTGFBR1
SCHEMBL2748397 0.76 PRKD3 (0.53) FYNCHEK2ILKRAB9AKMT2A
SCHEMBL18613239 0.75 FYN (1.00) FYNCHEK2ATRATMACVR1B
SCHEMBL30521926 0.75 FYN (1.00) FYNCHEK2ATRATMACVR1B
SCHEMBL2749468 0.74 TP53 (0.47) MEN1NPC1RAB9AKMT2A
SCHEMBL2750376 0.74 ATR (0.54) FYNATRILK
SCHEMBL2750714 0.74 CHEK2 (0.55) CHEK2ATRATMPIK3CDPIK3CA
SCHEMBL2750324 0.74 ILK (0.65) ATRILKATMMEN1NPC1
SCHEMBL1982607 0.73 KDM4E (0.51) ILKMEN1NPC1RAB9AKMT2A

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 75/4885CHEK2 121/4885ATR 347/4885

“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.