SCHEMBL2475554

SCHEMBL2475554

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 6/20 0.44
ADORA3 P0DMS8 8/20 0.40
ADORA2A P29274 3/20 0.40
ADORA1 P30542 3/20 0.40
AURKA O14965 2/20 0.40
AURKB Q96GD4 2/20 0.40
MEN1 O00255 1/20 0.40
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40
TYK2 P29597 1/20 0.40
TTK P33981 1/20 0.40
JAK3 P52333 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
AURKC Q9UQB9 1/20 0.40
TRPV1 Q8NER1 2/20 0.40
EGFR P00533 1/20 0.39
INSR P06213 1/20 0.39
ALK Q9UM73 1/20 0.39
BRD4 O60885 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
SCHEMBL2481692 0.90 ADORA3 (0.39) SYKADORA3ADORA2AADORA1AURKA
SCHEMBL2446932 0.88 SYK (0.46) SYKADORA3AURKAAURKBMEN1
SCHEMBL2843371 0.84 SYK (0.44) SYKADORA3ADORA2AADORA1AURKA
SCHEMBL2480773 0.84 ADORA3 (0.44) SYKADORA3ADORA2AADORA1AURKA
SCHEMBL2537540 0.83 TRPV1 (0.46) SYKTRPV1
SCHEMBL2483876 0.83 JAK3 (0.41) SYKAURKAJAK3TRPV1EGFR
SCHEMBL2449765 0.82 SYK (0.39) SYKAURKAJAK2JAK1TYK2
SCHEMBL2479399 0.82 SYK (0.37) SYKAURKAJAK2TRPV1EGFR
SCHEMBL2481502 0.82 TNK2 (0.52) JAK2TYK2KMT2AALK
SCHEMBL2481505 0.82 TNK2 (0.52) JAK2TYK2KMT2AALK

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 13 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 claimed
EP-2367826-A1 MODULATORS OF AMYLOID BETA. AstraZeneca AB (SE) 2011-09-28 EP claimed
US-20100130495-A1 COMPOUNDS 563 ASTRAZENECA AB (SE) 2010-05-27 US claimed
WO-2010053438-A1 MODULATORS OF AMYLOID BETA. ASTRAZENECA AB (SE) 2010-05-14 WO claimed
US-8188101-B2 Dihydropyridopyrimidines for the treatment of AB-related pathologies ASTRAZENECA AB (SE) 2012-05-29 US disclosed
US-8188101-B2 Dihydropyridopyrimidines for the treatment of AB-related pathologies ASTRAZENECA AB (SE) 2012-05-29 US disclosed
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
US-20100130495-A1 COMPOUNDS 563 ASTRAZENECA AB (SE) 2010-05-27 US 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
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 641/4885ADORA3 420/4885ADORA2A 721/4885

“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.