SCHEMBL2450465

SCHEMBL2450465

CS(=O)(=O)N1CCc2nc(Nc3ccc(-c4cnco4)cc3)nc(N(CCO)c3ccccc3)c2C1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.37
JAK2 O60674 5/20 0.37
JAK3 P52333 5/20 0.37
BRD4 O60885 1/20 0.36
CREBBP Q92793 1/20 0.36
POLB P06746 1/20 0.35
KMT2A Q03164 1/20 0.35
TRPV1 Q8NER1 1/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
PKM P14618 1/20 0.34
IMPDH2 P12268 3/20 0.33
MTOR P42345 2/20 0.33
SYK P43405 1/20 0.33
ROCK2 O75116 1/20 0.32
FPR1 P21462 1/20 0.32
AURKA O14965 1/20 0.32

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
SCHEMBL2444397 0.94 BRD4 (0.36) PDE10AJAK3BRD4CREBBPPOLB
SCHEMBL2452689 0.92 CREBBP (0.38) PDE10AJAK2JAK3BRD4CREBBP
SCHEMBL2449611 0.89 CREBBP (0.39) JAK3BRD4CREBBPPOLBKMT2A
SCHEMBL2452690 0.88 PDE10A (0.32) PDE10AJAK2JAK3BRD4CREBBP
SCHEMBL2450613 0.87 CREBBP (0.51) PDE10ABRD4CREBBPTRPV1NPC1
SCHEMBL2450149 0.87 CREBBP (0.43) PDE10ABRD4CREBBPTRPV1NPC1
SCHEMBL2447141 0.86 CREBBP (0.41) PDE10ABRD4CREBBPTRPV1NPC1
SCHEMBL2446851 0.86 CREBBP (0.42) PDE10AJAK2JAK3BRD4CREBBP
SCHEMBL2445064 0.86 CREBBP (0.42) PDE10ABRD4CREBBPNPC1RAB9A
SCHEMBL2446711 0.86 CREBBP (0.42) PDE10ABRD4CREBBPTRPV1NPC1

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 PDE10A 920/4885JAK2 3639/4885JAK3 3254/4885

“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.