Sugi Predict

Sugi Predict / Compounds / SCHEMBL2450583

SCHEMBL2450583

SCHEMBL2450583

CN(C)CC(=O)N1CCc2nc(Nc3ccc(-c4cnco4)cc3)nc(N(CCO)c3ccccc3)c2C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CREBBP Q92793 2/20 0.41
▸ BRD4 O60885 1/20 0.41
▸ PDE10A Q9Y233 5/20 0.36
▸ NAMPT P43490 1/20 0.34
▸ PDE5A O76074 1/20 0.34
▸ PDE6A P16499 1/20 0.34
▸ PDE4A P27815 1/20 0.34
▸ HTR7 P34969 1/20 0.34
▸ TMEM97 Q5BJF2 1/20 0.34
▸ PDE11A Q9HCR9 1/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ PKM P14618 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ PRLHR P49683 5/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34

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
SCHEMBL2448090 0.96 CREBBP (0.39) CREBBPBRD4PDE10ANAMPTPDE5A
SCHEMBL2446851 0.93 CREBBP (0.42) CREBBPBRD4PDE10APDE5APDE6A
SCHEMBL2448754 0.93 CREBBP (0.42) CREBBPBRD4PDE10APDE5APDE6A
SCHEMBL2447141 0.92 CREBBP (0.41) CREBBPBRD4PDE10ANAMPTKDM4E
SCHEMBL2446711 0.91 CREBBP (0.42) CREBBPBRD4PDE10APDE5APDE6A
SCHEMBL2450613 0.91 CREBBP (0.51) CREBBPBRD4PDE10AKDM4ENPC1
SCHEMBL2450149 0.91 CREBBP (0.43) CREBBPBRD4PDE10AKDM4ENPC1
SCHEMBL2445064 0.90 CREBBP (0.42) CREBBPBRD4PDE10AKDM4ENPC1
SCHEMBL2445562 0.89 CREBBP (0.41) CREBBPBRD4PDE10APDE5APDE6A
SCHEMBL2840310 0.89 CREBBP (0.41) CREBBPBRD4PDE10APDE5APDE6A

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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

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 1537/4885PDE10A 920/4885

“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.