SCHEMBL2447398

SCHEMBL2447398

CCCN1CCc2nc(Nc3ccc(-c4cnco4)cc3)nc(N(CCO)c3ccccc3)c2C1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.37
CREBBP Q92793 1/20 0.37
TRPV1 Q8NER1 1/20 0.36
IMPDH2 P12268 5/20 0.33
DRD2 P14416 1/20 0.33
DRD4 P21917 1/20 0.33
DRD3 P35462 1/20 0.33
IGF1R P08069 1/20 0.33
AURKB Q96GD4 1/20 0.33
MAPT P10636 2/20 0.33
TP53 P04637 1/20 0.33
ROCK2 O75116 2/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
JAK3 P52333 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
PKM P14618 1/20 0.33
FYN P06241 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
SCHEMBL2449611 0.91 CREBBP (0.39) BRD4CREBBPTRPV1IMPDH2ROCK2
SCHEMBL2446856 0.91 BRD4 (0.36) BRD4CREBBPTRPV1IMPDH2ROCK2
SCHEMBL2451572 0.90 CREBBP (0.39) BRD4CREBBPTRPV1IMPDH2MAPT
SCHEMBL2450616 0.89 BRD4 (0.35) BRD4CREBBPTRPV1IMPDH2ROCK2
SCHEMBL2446785 0.88 CREBBP (0.37) BRD4CREBBPTRPV1IMPDH2LMNA
SCHEMBL2450149 0.88 CREBBP (0.43) BRD4CREBBPTRPV1IMPDH2NPC1
SCHEMBL2444397 0.87 BRD4 (0.36) BRD4CREBBPTRPV1IMPDH2ROCK2
SCHEMBL2446851 0.87 CREBBP (0.42) BRD4CREBBPTRPV1IMPDH2ROCK2
SCHEMBL2450613 0.87 CREBBP (0.51) BRD4CREBBPTRPV1IMPDH2NPC1
SCHEMBL2445566 0.86 TRPV1 (0.34) BRD4CREBBPTRPV1IMPDH2NPC1

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 BRD4 1537/4885CREBBP 646/4885TRPV1 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.