SCHEMBL2480773

SCHEMBL2480773

Cc1nccn1-c1ccc(Nc2nc3c(c(N[C@@H]4CC5CCC4C5)n2)CN(C)CC3)cc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 2/20 0.44
ADORA2A P29274 2/20 0.44
ADORA1 P30542 2/20 0.44
GPR183 P32249 1/20 0.40
SYK P43405 1/20 0.40
HRH4 Q9H3N8 5/20 0.39
KDR P35968 1/20 0.38
AURKB Q96GD4 1/20 0.38
CDK4 P11802 2/20 0.37
AURKA O14965 1/20 0.37
TRPV1 Q8NER1 3/20 0.35
ROCK2 O75116 2/20 0.34
CCND1 P24385 1/20 0.34
CCND2 P30279 1/20 0.34
CCND3 P30281 1/20 0.34
GABBR2 O75899 2/20 0.33
GABBR1 Q9UBS5 2/20 0.33
IRAK4 Q9NWZ3 1/20 0.33

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
SCHEMBL2475554 0.84 SYK (0.44) ADORA3ADORA2AADORA1SYKAURKB
SCHEMBL8912310 0.82 SYK (0.37) SYKTRPV1ROCK2
SCHEMBL2509407 0.78 ROCK2 (0.42) SYKKDRCDK4AURKATRPV1
SCHEMBL2448060 0.77 TRPV1 (0.40) SYKTRPV1ROCK2
SCHEMBL2481505 0.77 TNK2 (0.52)
SCHEMBL2454972 0.77 TNK2 (0.52)
SCHEMBL2481502 0.77 TNK2 (0.52)
SCHEMBL2449765 0.76 SYK (0.39) SYKKDRCDK4AURKATRPV1
SCHEMBL2481692 0.75 ADORA3 (0.39) ADORA3ADORA2AADORA1SYKAURKB
SCHEMBL2483876 0.74 JAK3 (0.41) SYKKDRCDK4AURKATRPV1

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 9 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
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
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
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 ADORA3 420/4885ADORA2A 721/4885ADORA1 495/4885

“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.