SCHEMBL2453169

SCHEMBL2453169

O=C(O)N1CCc2nc(Nc3ccc(-c4cnco4)cc3)nc(NCC3CCOCC3)c2C1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 2/20 0.44
BRD4 O60885 1/20 0.44
SYK P43405 5/20 0.44
GPR119 Q8TDV5 2/20 0.39
KCNH3 Q9ULD8 1/20 0.39
JAK3 P52333 2/20 0.38
JAK2 O60674 1/20 0.38
PRKCQ Q04759 1/20 0.38
FLT3 P36888 2/20 0.38
PDE10A Q9Y233 1/20 0.38
JAK1 P23458 1/20 0.36
TRPV1 Q8NER1 1/20 0.35
WNT1 P04628 1/20 0.35
GSK3B P49841 1/20 0.35
DYRK1A Q13627 1/20 0.35
TTK P33981 1/20 0.35
TNK2 Q07912 1/20 0.35

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
SCHEMBL8906858 0.89 MTOR (0.45) CREBBPBRD4SYKGPR119
SCHEMBL2447109 0.89 TNK2 (0.46) CREBBPBRD4SYKKCNH3JAK2
SCHEMBL2447183 0.88 SYK (0.40) CREBBPBRD4SYKGPR119KCNH3
SCHEMBL2447413 0.87 PRKCQ (0.45) CREBBPBRD4SYKKCNH3JAK3
SCHEMBL3126971 0.84 PRKCQ (0.40) CREBBPBRD4SYKKCNH3JAK3
SCHEMBL2449206 0.84 CREBBP (0.47) CREBBPBRD4SYKPDE10ATRPV1
SCHEMBL2451706 0.82 CREBBP (0.53) CREBBPBRD4SYKKCNH3JAK2
SCHEMBL2847162 0.82 CREBBP (0.53) CREBBPBRD4SYKKCNH3JAK2
SCHEMBL2453164 0.81 CREBBP (0.44) CREBBPBRD4SYKGPR119JAK3
SCHEMBL2450544 0.81 SYK (0.42) SYKGPR119KCNH3JAK3JAK2

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 CREBBP 646/4885BRD4 1537/4885SYK 641/4885

“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.