SCHEMBL2444124

SCHEMBL2444124

CCN(CC1CCCO1)c1nc(Nc2ccc(-c3cnco3)cc2)nc2c1CN(CCO)CC2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.35
CREBBP Q92793 1/20 0.35
TRPV1 Q8NER1 1/20 0.33
SYK P43405 1/20 0.33
TNK2 Q07912 8/20 0.33
IMPDH2 P12268 4/20 0.32
CDK4 P11802 1/20 0.32
FLT3 P36888 1/20 0.32
PRKCQ Q04759 1/20 0.32
CHEK1 O14757 1/20 0.32
JAK2 O60674 1/20 0.32
ABL1 P00519 1/20 0.32
LCK P06239 1/20 0.32
ROS1 P08922 1/20 0.32
FGFR1 P11362 1/20 0.32
SRC P12931 1/20 0.32
TYK2 P29597 1/20 0.32
ALK Q9UM73 1/20 0.32
ACVR1 Q04771 1/20 0.32
GPR119 Q8TDV5 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
SCHEMBL2450329 0.95 BRD4 (0.32) BRD4CREBBPTRPV1SYKTNK2
SCHEMBL2450336 0.94 TNK2 (0.38) BRD4CREBBPSYKTNK2PRKCQ
SCHEMBL2450333 0.94 TNK2 (0.38) BRD4CREBBPSYKTNK2PRKCQ
SCHEMBL2446870 0.91 ROCK2 (0.36) BRD4CREBBPTRPV1SYKTNK2
SCHEMBL2450612 0.89 CREBBP (0.41) BRD4CREBBPSYKTNK2GPR119
SCHEMBL2448247 0.85 BRD4 (0.37) BRD4CREBBPTRPV1SYKIMPDH2
SCHEMBL2448252 0.83 TNK2 (0.43) SYKTNK2CHEK1JAK2ABL1
SCHEMBL2448242 0.83 TNK2 (0.43) SYKTNK2CHEK1JAK2ABL1
SCHEMBL2450331 0.83 MAPT (0.34) TRPV1SYKTNK2PRKCQCHEK1
SCHEMBL2447892 0.82 HTR2A (0.35) SYKTNK2CHEK1JAK2ABL1

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
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.