SCHEMBL2480087

SCHEMBL2480087

Cc1nccn1-c1ccc(Nc2nc3c(c(N(CCO)Cc4ccccc4)n2)CN(C)CC3)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.41
ADORA2A P29274 1/20 0.35
TP53 P04637 2/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
PORCN Q9H237 1/20 0.34
EGFR P00533 2/20 0.33
NR3C2 P08235 2/20 0.33
PDE10A Q9Y233 2/20 0.32
TRPV1 Q8NER1 2/20 0.32
PAK1 Q13153 1/20 0.31
SYK P43405 1/20 0.31
STAT6 P42226 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
MAPT P10636 1/20 0.31
LCK P06239 1/20 0.30
SRC P12931 1/20 0.30
KDR P35968 1/20 0.30
MAPK14 Q16539 1/20 0.30
MAPK1 P28482 1/20 0.30

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
SCHEMBL2450312 0.90 PDE10A (0.39) ROCK2ADORA2ACYP3A4CYP2D6PORCN
SCHEMBL2475127 0.86 ADORA2A (0.35) ROCK2ADORA2ATP53CYP3A4CYP2D6
SCHEMBL2841839 0.86 PDE10A (0.42) ROCK2CYP3A4CYP2D6PORCNNR3C2
SCHEMBL2480019 0.81 ROCK2 (0.43) ROCK2TP53CYP3A4CYP2D6PORCN
SCHEMBL2509407 0.78 ROCK2 (0.42) ROCK2CYP3A4CYP2D6PORCNEGFR
SCHEMBL8276435 0.78 ROCK2 (0.41) ROCK2CYP3A4CYP2D6PORCNNR3C2
SCHEMBL2480700 0.76 ROCK2 (0.38) ROCK2TP53CYP3A4CYP2D6PORCN
SCHEMBL2483876 0.76 JAK3 (0.41) ROCK2EGFRTRPV1SYKLCK
SCHEMBL2452081 0.76 ROCK2 (0.38) ROCK2CYP3A4CYP2D6PORCNEGFR
SCHEMBL2481672 0.75 ROCK2 (0.35) ROCK2CYP3A4CYP2D6EGFRSYK

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 ROCK2 445/4885ADORA2A 721/4885TP53 60/4885

“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.