SCHEMBL2447102

SCHEMBL2447102

CN(c1nc(Nc2ccc(-c3cnco3)cc2)nc2c1CN(C(=O)O)CC2)C1CCCO1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 2/20 0.44
BRD4 O60885 1/20 0.44
SYK P43405 3/20 0.38
GPR119 Q8TDV5 4/20 0.36
PRLHR P49683 5/20 0.35
WNT1 P04628 1/20 0.35
GSK3B P49841 1/20 0.35
DYRK1A Q13627 1/20 0.35
JAK3 P52333 1/20 0.35
ROCK2 O75116 2/20 0.34
TRPV1 Q8NER1 1/20 0.34
PDE10A Q9Y233 1/20 0.33

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
SCHEMBL2847158 0.94 CREBBP (0.51) CREBBPBRD4SYKGPR119PRLHR
SCHEMBL2453164 0.90 CREBBP (0.44) CREBBPBRD4SYKGPR119PRLHR
SCHEMBL2448247 0.87 BRD4 (0.37) CREBBPBRD4SYKGPR119PRLHR
SCHEMBL2451710 0.87 BRD4 (0.35) CREBBPBRD4SYKGPR119WNT1
SCHEMBL2450612 0.85 CREBBP (0.41) CREBBPBRD4SYKGPR119PRLHR
SCHEMBL2447273 0.83 CREBBP (0.53) CREBBPBRD4SYKGPR119PRLHR
SCHEMBL2450329 0.80 BRD4 (0.32) CREBBPBRD4SYKTRPV1
SCHEMBL2447109 0.80 TNK2 (0.46) CREBBPBRD4SYK
SCHEMBL2844843 0.80 CREBBP (0.51) CREBBPBRD4SYKPRLHRJAK3
SCHEMBL2476012 0.80 SYK (0.37) SYKGPR119JAK3ROCK2PDE10A

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 4 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 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
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 1537/4885SYK 641/4885

“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.