SCHEMBL2444206

SCHEMBL2444206

CC(=O)N1CCc2nc(Nc3ccc(-n4ccnc4C)cc3)nc(CCc3cccc(F)c3)c2C1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 12/20 0.40
BRD4 O60885 8/20 0.40
ROCK2 O75116 1/20 0.39
EP300 Q09472 3/20 0.39
KDR P35968 1/20 0.39
MAPK1 P28482 1/20 0.38
PTK2 Q05397 1/20 0.37
NTRK1 P04629 1/20 0.37
PDE10A Q9Y233 1/20 0.35

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
SCHEMBL2480448 0.94 ROCK2 (0.39) ROCK2KDRMAPK1PTK2NTRK1
SCHEMBL8905533 0.90 MAPT (0.44) ROCK2KDRMAPK1PTK2PDE10A
SCHEMBL2451552 0.89 ROCK2 (0.43) ROCK2KDRPTK2NTRK1
SCHEMBL2479140 0.87 ROCK2 (0.38) ROCK2PTK2NTRK1
SCHEMBL2447040 0.84 NTRK1 (0.37) BRD4ROCK2KDRPTK2NTRK1
SCHEMBL2451842 0.83 CREBBP (0.41) CREBBPBRD4ROCK2EP300KDR
SCHEMBL2446860 0.83 CREBBP (0.38) CREBBPBRD4ROCK2EP300KDR
SCHEMBL2447045 0.82 CREBBP (0.41) CREBBPBRD4ROCK2EP300KDR
SCHEMBL2479506 0.82 ROCK2 (0.35) ROCK2KDRPTK2NTRK1
SCHEMBL2447366 0.81 SYK (0.40) CREBBPBRD4EP300

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 CREBBP 646/4885BRD4 1537/4885ROCK2 445/4885

“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.