SCHEMBL2386463

SCHEMBL2386463

CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1ncc(-c2cccc(N3CCOCC3)c2)nc1Br

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATR Q13535 1/20 0.47
PRKCA P17252 1/20 0.43
PRKCQ Q04759 1/20 0.43
PIK3CA P42336 2/20 0.41
HDAC1 Q13547 2/20 0.40
KDM1A O60341 1/20 0.40
BRAF P15056 1/20 0.40
POLQ O75417 1/20 0.39
USP30 Q70CQ3 1/20 0.39
AKT1 P31749 1/20 0.39
MTOR P42345 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
SLC16A3 O15427 1/20 0.39
SLC16A1 P53985 1/20 0.39
MCTS1 Q9ULC4 1/20 0.39
TRPV3 Q8NET8 1/20 0.39
CAMK2D Q13557 1/20 0.38
JMJD6 Q6NYC1 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
SCHEMBL2387651 0.95 ATR (0.47) ATRPRKCAPRKCQPIK3CAHDAC1
SCHEMBL27830001 0.84 ATR (0.44) ATRPRKCAPRKCQPIK3CAHDAC1
SCHEMBL481811 0.73 AKR1B1 (0.40) ATRPIK3CAMTORRPS6KA3
SCHEMBL3342182 0.71 GPR119 (0.41) ATRPIK3CABRAFUSP30AKT1
SCHEMBL2275402 0.71 JAK3 (0.53) ATRPRKCAPRKCQHDAC1KDM1A
SCHEMBL20734721 0.70 DHFR (0.47) DHFR
SCHEMBL20843693 0.70 ABL1 (0.33) HDAC1POLQUSP30HDAC6ADORA2A
SCHEMBL2086451 0.69 KMO (0.47) USP30KMODHFR
SCHEMBL30068129 0.69 KCNQ3 (0.39) PIK3CA
SCHEMBL26647310 0.69 KCNQ3 (0.39) PIK3CA

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-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
US-20090118305-A1 PYRIDINE AND PYRAZINE DERIVATIVES - 083 ASTRAZENECA AB (SE) 2009-05-07 US 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 ATR 1304/4885PRKCA 735/4885PRKCQ 984/4885

“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.