SCHEMBL2749569

SCHEMBL2749569

CN1CCC(N(C)C(=O)c2cccc(-c3cnc(N)c(-c4nc5ccccc5s4)c3)c2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 4/20 0.48
CDK1 P06493 3/20 0.48
CDK2 P24941 3/20 0.48
MKNK2 Q9HBH9 3/20 0.48
FYN P06241 2/20 0.47
ADORA2A P29274 2/20 0.47
ADORA1 P30542 1/20 0.47
ATR Q13535 2/20 0.41
MEN1 O00255 2/20 0.40
ALDH1A1 P00352 2/20 0.40
KMT2A Q03164 2/20 0.40
MAPT P10636 1/20 0.40
MAP4K4 O95819 2/20 0.39
DYRK1A Q13627 1/20 0.39
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
TP53 P04637 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL2749406 0.85 ATR (0.58) FYNATRKMT2AMAPTMAP4K4
SCHEMBL2748893 0.85 MKNK2 (0.64) MKNK1CDK1CDK2MKNK2FYN
SCHEMBL2749594 0.84 ATR (0.58) MKNK1CDK1CDK2MKNK2FYN
SCHEMBL2749343 0.84 FYN (0.62) FYNADORA2AATRMEN1ALDH1A1
SCHEMBL2749870 0.81 FYN (0.59) FYNADORA2AATRMEN1ALDH1A1
SCHEMBL2750376 0.80 ATR (0.54) MKNK1CDK1CDK2MKNK2FYN
SCHEMBL2747422 0.80 MAP4K4 (0.58) MKNK1CDK1CDK2MKNK2FYN
SCHEMBL2750253 0.79 FYN (0.54) MKNK1CDK1CDK2MKNK2FYN
SCHEMBL2749700 0.79 ATR (0.52) FYNATRALDH1A1MAP4K4HPGD
SCHEMBL2750485 0.79 FYN (0.53) MKNK1CDK1CDK2MKNK2FYN

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 2 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
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 MKNK1 253/4885CDK1 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.