SCHEMBL2384700

SCHEMBL2384700

CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1ncc(Br)cc1-c1nc2ccccc2o1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.41
KDM4E B2RXH2 8/20 0.41
TSHR P16473 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
KDM6B O15054 1/20 0.40
KDM6A O15550 1/20 0.40
SMN1; SMN2 Q16637 5/20 0.40
TP53 P04637 4/20 0.40
ALDH1A1 P00352 7/20 0.40
HPGD P15428 6/20 0.40
THRB P10828 3/20 0.40
USP2 O75604 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
AGPAT2 O15120 1/20 0.39
HSD17B10 Q99714 6/20 0.38
NPC1 O15118 4/20 0.38
RAB9A P51151 4/20 0.38
GLA P06280 1/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL2386539 0.85 MAPT (0.38) MAPTKDM4ETSHRTP53ALDH1A1
SCHEMBL2388506 0.84 BACE1 (0.36) MAPTKDM4EMEN1KMT2AAGPAT2
SCHEMBL2384430 0.82 BACE1 (0.32) AGPAT2BACE1
SCHEMBL2385462 0.82 USP30 (0.39) MAPTKDM4EKDM6BKDM6ASMN1; SMN2
SCHEMBL27829962 0.81 AGPAT2 (0.37) MAPTKDM4ETSHRMEN1KMT2A
SCHEMBL2641058 0.80 NPC1 (0.40) MAPTKDM4ETSHRMEN1KMT2A
SCHEMBL2640799 0.77 NPC1 (0.38) MAPTKDM4ETSHRMEN1KMT2A
SCHEMBL12763674 0.74 MAPT (0.48) MAPTKDM4ETSHRMEN1KMT2A
SCHEMBL10311298 0.71 BACE1 (0.38) SMN1; SMN2ALDH1A1NPC1RAB9ABACE1
SCHEMBL13625130 0.71 KDM4E (0.44) MAPTKDM4ETSHRMEN1KMT2A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8017611-B2 Pyridine and pyrazine derivatives -083 ASTRAZENECA AB (SE) 2011-09-13 US disclosed
EP-2215085-B1 PYRIDINE AND PYRAZINE DERIVATIVES USEFUL IN THE TREATMENT OF CELL PROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2011-09-07 EP disclosed
CN-101910158-A Pyridine and pyrazine derivatives useful in the treatment of cell proliferative disorders ASTRAZENECA AB 2010-12-08 CN disclosed
EP-2215085-A2 PYRIDINE AND PYRAZINE DERIVATIVES USEFUL IN THE TREATMENT OF CELL PROLIFERATIVE DISORDERS AstraZeneca AB (SE) 2010-08-11 EP disclosed
US-20090118305-A1 PYRIDINE AND PYRAZINE DERIVATIVES - 083 ASTRAZENECA AB (SE) 2009-05-07 US disclosed
WO-2009053737-A2 PYRIDINE AND PYRAZINE DERIVATIVES USEFUL IN THE TREATMENT OF CELL PROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2009-04-30 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-20090118305-A1 PYRIDINE AND PYRAZINE DERIVATIVES - 083 MKI67, CCND3, CCND1 MAPT 2946/4885KDM4E 2374/4885TSHR 1311/4885

“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.