SCHEMBL2446932

SCHEMBL2446932

Cc1nccn1-c1ccc(Nc2nc3c(c(NC4CCCCC4)n2)CN(C(=O)O)CC3)cc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SYK P43405 15/20 0.46
AURKA O14965 2/20 0.39
AURKB Q96GD4 2/20 0.39
MERTK Q12866 1/20 0.38
ADORA3 P0DMS8 3/20 0.38
MEN1 O00255 1/20 0.38
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
TYK2 P29597 1/20 0.38
TTK P33981 1/20 0.38
JAK3 P52333 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
AURKC Q9UQB9 1/20 0.38

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
SCHEMBL2537540 0.89 TRPV1 (0.46) SYK
SCHEMBL2475554 0.88 SYK (0.44) SYKAURKAAURKBADORA3MEN1
SCHEMBL2451543 0.84 SYK (0.41) SYKAURKAJAK2
SCHEMBL2445594 0.84 SYK (0.39) SYK
SCHEMBL2477781 0.83 SYK (0.40) SYKAURKAJAK2JAK3
SCHEMBL2446453 0.83 TNK2 (0.48) SYKJAK2TYK2KMT2A
SCHEMBL2447374 0.82 SYK (0.41) SYKJAK2JAK1TYK2JAK3
SCHEMBL2843371 0.81 SYK (0.44) SYKAURKAAURKBADORA3MEN1
SCHEMBL2481692 0.80 ADORA3 (0.39) SYKAURKAAURKBMERTKADORA3
SCHEMBL2476012 0.79 SYK (0.37) SYKJAK3

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-8188101-B2 Dihydropyridopyrimidines for the treatment of AB-related pathologies ASTRAZENECA AB (SE) 2012-05-29 US disclosed
EP-2367826-A1 MODULATORS OF AMYLOID BETA. AstraZeneca AB (SE) 2011-09-28 EP disclosed
US-20100130495-A1 COMPOUNDS 563 ASTRAZENECA AB (SE) 2010-05-27 US disclosed
WO-2010053438-A1 MODULATORS OF AMYLOID BETA. ASTRAZENECA AB (SE) 2010-05-14 WO 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-20100130495-A1 COMPOUNDS 563 BACE1, PSEN1, PSEN2 SYK 641/4885AURKA 862/4885AURKB 602/4885

“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.