SCHEMBL2841302

SCHEMBL2841302

CC(=O)N1CCc2nc(Nc3ccc(-c4cnco4)cc3)nc(N3CCc4ccccc43)c2C1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 12/20 0.53
BRD4 O60885 7/20 0.53
TRPV1 Q8NER1 1/20 0.39
ENPP2 Q13822 1/20 0.38
JAK3 P52333 1/20 0.37
ROCK2 O75116 1/20 0.37
MKNK1 Q9BUB5 1/20 0.36
MKNK2 Q9HBH9 1/20 0.36
SYK P43405 1/20 0.36
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
PKM P14618 1/20 0.36
RAB9A P51151 1/20 0.36
PDE10A Q9Y233 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
SCHEMBL2845231 0.85 CREBBP (0.48) CREBBPBRD4TRPV1ENPP2JAK3
SCHEMBL2844739 0.85 CREBBP (0.48) CREBBPBRD4TRPV1ENPP2JAK3
SCHEMBL2844743 0.85 CREBBP (0.48) CREBBPBRD4TRPV1ENPP2JAK3
SCHEMBL2450931 0.84 TRPV1 (0.37) CREBBPBRD4TRPV1JAK3ROCK2
SCHEMBL2449067 0.82 CREBBP (0.61) CREBBPBRD4JAK3SYK
SCHEMBL2447343 0.78 CREBBP (0.51) CREBBPBRD4TRPV1SYK
SCHEMBL2450067 0.77 CREBBP (0.50) CREBBPBRD4TRPV1JAK3SYK
SCHEMBL2446687 0.77 CREBBP (0.57) CREBBPBRD4TRPV1ROCK2
SCHEMBL2450613 0.76 CREBBP (0.51) CREBBPBRD4TRPV1KDM4ENPC1
SCHEMBL2451064 0.76 CREBBP (0.56) CREBBPBRD4SYK

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
US-20100130495-A1 COMPOUNDS 563 ASTRAZENECA AB (SE) 2010-05-27 US 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 1537/4885TRPV1 3250/4885

“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.