SCHEMBL2449701

SCHEMBL2449701

O=C(O)N1CCc2c(O)nc(Nc3ccc(-c4cnco4)cc3)nc2C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 2/20 0.49
BRD4 O60885 1/20 0.49
JAK3 P52333 1/20 0.42
SYK P43405 3/20 0.42
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 4/20 0.40
RAB9A P51151 3/20 0.40
KDM4E B2RXH2 3/20 0.40
PKM P14618 2/20 0.40
ALDH1A1 P00352 2/20 0.40
LMNA P02545 1/20 0.40
IMPDH2 P12268 2/20 0.37
IMPDH1 P20839 1/20 0.37
MAPK1 P28482 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
HTT P42858 1/20 0.37
TRPV1 Q8NER1 1/20 0.36
POLB P06746 1/20 0.36
HDAC3 O15379 1/20 0.36

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
SCHEMBL2844843 0.92 CREBBP (0.51) CREBBPBRD4JAK3SYKKMT2A
SCHEMBL2846080 0.87 MAPT (0.49) CREBBPBRD4JAK3IMPDH2IMPDH1
SCHEMBL2449067 0.84 CREBBP (0.61) CREBBPBRD4JAK3SYK
SCHEMBL2850690 0.83 CREBBP (0.45) CREBBPBRD4SYKNPC1RAB9A
SCHEMBL2846204 0.83 CREBBP (0.43) CREBBPBRD4JAK3SYKKMT2A
SCHEMBL2451416 0.79 MAPT (0.51) CREBBPBRD4GPR119
SCHEMBL2449074 0.79 BRD4 (0.41) CREBBPBRD4JAK3SYKKMT2A
SCHEMBL2452090 0.78 CREBBP (0.45) CREBBPBRD4JAK3SYKKMT2A
SCHEMBL2449206 0.78 CREBBP (0.47) CREBBPBRD4SYKNPC1RAB9A
SCHEMBL2453169 0.76 CREBBP (0.44) CREBBPBRD4JAK3SYKTRPV1

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 1537/4885JAK3 3254/4885

“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.