SCHEMBL2845231

SCHEMBL2845231

CC(=O)N1CCc2nc(Nc3ccc(-c4cnco4)cc3)nc(N3c4ccccc4C[C@@H]3CO)c2C1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 10/20 0.48
BRD4 O60885 8/20 0.48
ENPP2 Q13822 1/20 0.38
TRPV1 Q8NER1 1/20 0.37
BCL2 P10415 1/20 0.37
IMPDH2 P12268 2/20 0.36
MTOR P42345 1/20 0.35
SYK P43405 1/20 0.34
JAK3 P52333 1/20 0.34
ROCK2 O75116 1/20 0.34
PRLHR P49683 1/20 0.34

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
SCHEMBL2844739 1.00 CREBBP (0.48) CREBBPBRD4ENPP2TRPV1BCL2
SCHEMBL2844743 1.00 CREBBP (0.48) CREBBPBRD4ENPP2TRPV1BCL2
SCHEMBL2450620 0.87 IMPDH2 (0.36) CREBBPBRD4TRPV1BCL2IMPDH2
SCHEMBL2841302 0.85 CREBBP (0.53) CREBBPBRD4ENPP2TRPV1SYK
SCHEMBL2447343 0.83 CREBBP (0.51) CREBBPBRD4TRPV1IMPDH2MTOR
SCHEMBL2450067 0.79 CREBBP (0.50) CREBBPBRD4TRPV1IMPDH2MTOR
SCHEMBL2449067 0.78 CREBBP (0.61) CREBBPBRD4SYKJAK3
SCHEMBL2450613 0.75 CREBBP (0.51) CREBBPBRD4TRPV1IMPDH2PRLHR
SCHEMBL2449938 0.75 CREBBP (0.50) CREBBPBRD4ROCK2PRLHR
SCHEMBL2451471 0.75 CYP3A4 (0.34) ENPP2TRPV1SYKJAK3ROCK2

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 7 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
US-20100130495-A1 COMPOUNDS 563 ASTRAZENECA AB (SE) 2010-05-27 US 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-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 CREBBP 646/4885BRD4 1537/4885ENPP2 642/4885

“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.