SCHEMBL2444488

SCHEMBL2444488

CC(=O)N1CCc2nc(Nc3ccc(-c4cnco4)cc3)nc(N(C)Cc3cccnc3)c2C1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 7/20 0.51
BRD4 O60885 4/20 0.51
PDE10A Q9Y233 6/20 0.40
PDE5A O76074 1/20 0.40
PDE6A P16499 1/20 0.40
PDE4A P27815 1/20 0.40
HTR7 P34969 1/20 0.40
TMEM97 Q5BJF2 1/20 0.40
PDE11A Q9HCR9 1/20 0.40
EP300 Q09472 1/20 0.39
TRPV1 Q8NER1 1/20 0.38
PDGFRB P09619 1/20 0.38
KDR P35968 1/20 0.38
NAMPT P43490 2/20 0.37
ROCK2 O75116 2/20 0.37
JAK1 P23458 1/20 0.36

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
SCHEMBL2447621 0.88 CREBBP (0.49) CREBBPBRD4PDE10AEP300TRPV1
SCHEMBL2449938 0.87 CREBBP (0.50) CREBBPBRD4PDE10APDE5APDE6A
SCHEMBL2444491 0.86 TRPV1 (0.37) CREBBPBRD4PDE10APDE5APDE6A
SCHEMBL2453296 0.84 CREBBP (0.49) CREBBPBRD4PDE10APDE5APDE6A
SCHEMBL2449770 0.84 CREBBP (0.49) CREBBPBRD4PDE10APDE5APDE6A
SCHEMBL2447273 0.81 CREBBP (0.53) CREBBPBRD4
SCHEMBL2447305 0.81 CREBBP (0.53) CREBBPBRD4EP300TRPV1
SCHEMBL2450613 0.81 CREBBP (0.51) CREBBPBRD4PDE10AEP300TRPV1
SCHEMBL2449067 0.81 CREBBP (0.61) CREBBPBRD4EP300
SCHEMBL2847158 0.80 CREBBP (0.51) CREBBPBRD4EP300

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 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.