SCHEMBL2748293

SCHEMBL2748293

Nc1ncc(-c2cccc(C(=O)NCCCN3CCCC3)c2)cc1-c1nc2ccccc2s1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRK5 P34947 1/20 0.53
ATR Q13535 2/20 0.53
TP53 P04637 1/20 0.53
SMYD2 Q9NRG4 5/20 0.52
MAP4K4 O95819 1/20 0.51
IKBKB O14920 1/20 0.48
MEN1 O00255 1/20 0.46
HPGD P15428 1/20 0.46
KMT2A Q03164 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MAPT P10636 4/20 0.46
FYN P06241 2/20 0.45
THRB P10828 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44

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
SCHEMBL2749708 0.93 GRK5 (0.62) GRK5ATRTP53MAP4K4
SCHEMBL2749322 0.85 NAMPT (0.53) MEN1KMT2A
SCHEMBL2749016 0.84 FYN (0.51) GRK5TP53MAP4K4HPGDMAPT
SCHEMBL2748906 0.83 PRKD3 (0.62) GRK5TP53MAP4K4HPGDMAPT
SCHEMBL2749700 0.81 ATR (0.52) ATRMAP4K4HPGDFYN
SCHEMBL2750800 0.81 PRKD3 (0.54) GRK5TP53MAP4K4MEN1HPGD
SCHEMBL2748849 0.81 CDK8 (0.50) TP53MAP4K4MEN1HPGDKMT2A
SCHEMBL2749406 0.81 ATR (0.58) GRK5ATRTP53MAP4K4HPGD
SCHEMBL2750571 0.81 ATR (0.51) ATRMAP4K4MEN1HPGDKMT2A
SCHEMBL2747422 0.79 MAP4K4 (0.58) ATRMAP4K4MEN1HPGDKMT2A

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 GRK5 317/4885ATR 347/4885TP53 782/4885

“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.