SCHEMBL2748403

SCHEMBL2748403

CCN(CC)C(=O)c1ccc(-c2cnc(N)c(-c3nc4ccccc4s3)c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 8/20 0.47
MAPT P10636 5/20 0.45
ALDH1A1 P00352 4/20 0.45
HPGD P15428 3/20 0.45
CHEK2 O96017 2/20 0.44
MKNK1 Q9BUB5 1/20 0.44
NPC1 O15118 3/20 0.44
KMT2A Q03164 3/20 0.44
LMNA P02545 2/20 0.44
MEN1 O00255 2/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.42
HTT P42858 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
KDM4E B2RXH2 2/20 0.42
GAA P10253 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
PRKDC P78527 1/20 0.42
ATM Q13315 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
SCHEMBL2750714 0.89 CHEK2 (0.55) MAP4K4MAPTALDH1A1CHEK2MKNK1
SCHEMBL2749378 0.85 MAP4K4 (0.65) MAP4K4MAPTALDH1A1HPGDCHEK2
SCHEMBL2748144 0.84 CHEK2 (0.62) MAP4K4CHEK2MKNK1NPC1KMT2A
SCHEMBL2750950 0.84 CHEK2 (0.56) MAP4K4MAPTALDH1A1CHEK2MKNK1
SCHEMBL2747954 0.83 MAP4K4 (0.50) MAP4K4MAPTALDH1A1CHEK2MKNK1
SCHEMBL2748397 0.81 PRKD3 (0.53) MAP4K4MAPTCHEK2MKNK1KMT2A
SCHEMBL2748893 0.79 MKNK2 (0.64) MAP4K4MAPTALDH1A1CHEK2MKNK1
SCHEMBL2748635 0.79 CDK1 (0.48) MAP4K4MAPTCHEK2MKNK1RAB9A
SCHEMBL2749713 0.79 MAPT (0.52) MAP4K4MAPTALDH1A1HPGDNPC1
SCHEMBL2749468 0.79 TP53 (0.47) MAP4K4MAPTALDH1A1HPGDNPC1

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 MAP4K4 164/4885MAPT 1037/4885ALDH1A1 945/4885

“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.