Sugi Predict

Sugi Predict / Compounds / SCHEMBL412345

SCHEMBL412345

SCHEMBL412345

COCCCN(CCCc1ccc(Br)cc1)C(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 4/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ GLA P06280 1/20 0.40
▸ CA14 Q9ULX7 1/20 0.39
▸ HDAC1 Q13547 3/20 0.38
▸ HDAC6 Q9UBN7 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ PPARD Q03181 2/20 0.37
▸ PPARA Q07869 2/20 0.37
▸ LTB4R Q15722 1/20 0.37
▸ LTB4R2 Q9NPC1 1/20 0.37
▸ SSTR4 P31391 1/20 0.37
▸ HTR4 Q13639 1/20 0.37
▸ TAAR1 Q96RJ0 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ HDAC3 O15379 1/20 0.36
▸ HDAC2 Q92769 1/20 0.36
▸ NCOR2 Q9Y618 1/20 0.36
▸ POLB P06746 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
SCHEMBL29366016 0.88 KDM4E (0.41) L3MBTL1KDM4EGLAHDAC1HDAC6
SCHEMBL1760498 0.85 SSTR4 (0.41) L3MBTL1KDM4ECA14HDAC1LMNA
SCHEMBL6787392 0.83 SSTR4 (0.42) CA14HDAC1LMNAPPARALTB4R
SCHEMBL408156 0.82 HDAC1 (0.47) L3MBTL1KDM4EGLAHDAC1HDAC6
SCHEMBL4717431 0.82 LTB4R (0.36) CA14HDAC1PPARDPPARALTB4R
SCHEMBL25489016 0.82 CA14 (0.51) L3MBTL1CA14HDAC1HDAC6SSTR4
SCHEMBL13166745 0.82 HDAC1 (0.45) L3MBTL1KDM4EGLAHDAC1HDAC6
SCHEMBL2191105 0.81 TAAR1 (0.44) L3MBTL1KDM4ELMNAPPARDPPARA
SCHEMBL31618009 0.81 ADRB3 (0.40) L3MBTL1CA14HDAC1LMNAPPARD
SCHEMBL6743966 0.81 PPARG (0.44) CA14HDAC1PPARDPPARATAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130123275-A1 PYRAZINE DERIVATIVES ASTRAZENECA AB (SE) 2013-05-16 — — US disclosed
US-20130123275-A1 PYRAZINE DERIVATIVES ASTRAZENECA AB (SE) 2013-05-16 — — US disclosed
US-20130123275-A1 PYRAZINE DERIVATIVES ASTRAZENECA AB (SE) 2013-05-16 — — US disclosed
US-8198285-B2 Pyrazine derivatives ASTRAZENECA AB (SE) 2012-06-12 — — US disclosed
US-8198285-B2 Pyrazine derivatives ASTRAZENECA AB (SE) 2012-06-12 — — US disclosed
US-20120022082-A1 PYRAZINE DERIVATIVES ASTRAZENECA AB (SE) 2012-01-26 — — US disclosed
US-20120022082-A1 PYRAZINE DERIVATIVES ASTRAZENECA AB (SE) 2012-01-26 — — US disclosed
US-20120022082-A1 PYRAZINE DERIVATIVES ASTRAZENECA AB (SE) 2012-01-26 — — US disclosed
WO-2011089416-A1 PYRAZINE DERIVATIVES ASTRAZENECA AB (SE) 2011-07-28 — — WO disclosed
WO-2011089416-A1 PYRAZINE DERIVATIVES ASTRAZENECA AB (SE) 2011-07-28 — — 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 (2 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-20130123275-A1 PYRAZINE DERIVATIVES IL5, BMP2, PTH1R L3MBTL1 4534/4885KDM4E 3461/4885GLA 783/4885
US-20120022082-A1 PYRAZINE DERIVATIVES IL5, BMP2, PTH1R L3MBTL1 4534/4885KDM4E 3461/4885GLA 783/4885

“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.