SCHEMBL2444397

SCHEMBL2444397

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

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.36
CREBBP Q92793 1/20 0.36
KMT2A Q03164 2/20 0.35
POLB P06746 1/20 0.35
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
TRPV1 Q8NER1 1/20 0.34
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
PKM P14618 1/20 0.34
FPR1 P21462 2/20 0.34
IMPDH2 P12268 5/20 0.33
SYK P43405 1/20 0.33
ROCK2 O75116 2/20 0.32
PORCN Q9H237 1/20 0.32
JAK3 P52333 1/20 0.32
PDE10A Q9Y233 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
SCHEMBL2450465 0.94 PDE10A (0.37) BRD4CREBBPKMT2APOLBNPC1
SCHEMBL2451409 0.91 CREBBP (0.37) BRD4CREBBPPOLBALDH1A1FPR1
SCHEMBL2449611 0.89 CREBBP (0.39) BRD4CREBBPKMT2APOLBNPC1
SCHEMBL2446851 0.88 CREBBP (0.42) BRD4CREBBPNPC1RAB9ATRPV1
SCHEMBL2447398 0.87 BRD4 (0.37) BRD4CREBBPNPC1RAB9ATRPV1
SCHEMBL2450613 0.87 CREBBP (0.51) BRD4CREBBPNPC1RAB9ATRPV1
SCHEMBL2450149 0.87 CREBBP (0.43) BRD4CREBBPNPC1RAB9ATRPV1
SCHEMBL2452689 0.87 CREBBP (0.38) BRD4CREBBPKMT2APOLBNPC1
SCHEMBL2447141 0.86 CREBBP (0.41) BRD4CREBBPNPC1RAB9ATRPV1
SCHEMBL2450717 0.86 CREBBP (0.41) BRD4CREBBPPOLBNPC1RAB9A

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 12 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

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 646/4885KMT2A 3537/4885

“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.