Sugi Predict

Sugi Predict / Compounds / SCHEMBL2197993

SCHEMBL2197993

SCHEMBL2197993

O=C1Oc2ccccc2Cc2cccnc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 2/20 0.53
▸ MAOB P27338 1/20 0.53
▸ PTPRC P08575 2/20 0.38
▸ CTSL P07711 1/20 0.38
▸ CTSS P25774 1/20 0.38
▸ PTPN13 Q12923 1/20 0.38
▸ ABCC4 O15439 1/20 0.37
▸ PTGS1 P23219 1/20 0.37
▸ GAA P10253 2/20 0.37
▸ TDP2 O95551 1/20 0.37
▸ NSD2 O96028 1/20 0.37
▸ ABL1 P00519 1/20 0.37
▸ PLCG1 P19174 1/20 0.37
▸ CES1 P23141 1/20 0.37
▸ PAX8 Q06710 1/20 0.37
▸ RIN1 Q13671 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ THRB P10828 1/20 0.37
▸ BLM P54132 1/20 0.37
▸ KMT2A Q03164 1/20 0.37

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
SCHEMBL1919127 0.82 CCNB2 (0.37) MAOAMAOBABCC4PTGS1GAA
SCHEMBL21822064 0.81 MAOA (0.52) MAOAMAOBPTPRCCTSLCTSS
SCHEMBL31151882 0.77 MAOA (0.59) MAOAMAOBABCC4PTGS1GAA
SCHEMBL1648508 0.77 MAOA (0.59) MAOAMAOBABCC4PTGS1GAA
SCHEMBL1917802 0.76 MAOA (0.46) MAOAMAOBGAAMEN1THRB
SCHEMBL4054428 0.76 CDC25B (0.37) PTPRCCTSLCTSSPTPN13GAA
SCHEMBL577689 0.74 TDP1 (0.42) MAOAMAOBPTPRCCTSLCTSS
SCHEMBL4051989 0.74 ALDH1A1 (0.41) MAOAMAOBPTPRCCTSLCTSS
SCHEMBL7869058 0.73 MAOA (0.73) MAOAMAOBGAACES1TDP1
SCHEMBL29588358 0.73 MAOA (0.59) MAOAMAOBABCC4PTGS1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9334283-B2 CCR1 antagonists and methods of use thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2016-05-10 — — US disclosed
US-20150005338-A1 CCR1 ANTAGONISTS AND METHODS OF USE THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-01-01 — — US disclosed
US-20130289063-A1 CCR1 ANTAGONISTS AND METHODS OF USE THEREFOR MILLENNIUM PHARM INC (US) 2013-10-31 — — US disclosed
US-8394817-B2 CCR1 antagonists and methods of use therefor MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-03-12 — — US disclosed
US-20110230516-A1 CCR1 Antagonists and Methods of Use Therefor MILLENNIUM PHARMACEUTICALS, INC. 2011-09-22 — — US disclosed
US-7977350-B2 CCR1 antagonists and methods of use therefor MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-07-12 — — US disclosed
US-20100249174-A1 CCR1 ANTAGONISTS AND METHODS OF USE THEREFOR MILLENNIUM PHARMACEUTICALS, INC. 2010-09-30 — — US disclosed
US-7732459-B2 CCR1 antagonists and methods of use therefor MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-06-08 — — US disclosed
EP-1669356-B1 CCR1 Antagonists for the treatment of i.a demyelinating inflammatory disease MILLENNIUM PHARM INC (US) 2010-05-19 — — EP disclosed
US-20080139602-A1 CCR1 antagonists and methods of use therefor MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-06-12 — — US disclosed
EP-1669356-A1 CCR1 Antagonists for the treatment of i.a demyelinating inflammatory disease MILLENNIUM PHARMACEUTICALS, INC. (US) 2006-06-14 — — EP disclosed
EP-1562954-B1 CCR1 ANTAGONISTS FOR THE TREATMENT OF I.A. DEMYELINATING INFLAMMATORY DISEASE MILLENNIUM PHARM INC (US) 2006-05-03 — — EP disclosed
US-20050288319-A1 CCR1 antagonists and methods of use therefor MILLENNIUM PHARMACEUTICALS, INC. 2005-12-29 — — US disclosed
US-20040106639-A1 CCR1 antagonists and methods of use therefor MILLENNIUM PHARMACEUTICALS 2004-06-03 — — US disclosed
US-6613905-B1 Treating or preventing a disease associated with aberrant leukocyte recruitment and/or activation MILLENNIUM PHARMACEUTICALS, INC. 2003-09-02 — — US disclosed
EP-0129879-B1 A [1] benzepino(3,4-b)pyridine derivative KYOWA HAKKO KOGYO CO., LTD. (JP) 1991-09-11 — — EP disclosed
US-4547496-A Antiulcer [1] benzepino[3,4-b]pyridine and compositions KYOWA HAKKO KOGYO CO., LTD. (JP) 1985-10-15 — — US disclosed
EP-0129879-A2 A [1] benzepino(3,4-b)pyridine derivative KYOWA HAKKO KOGYO CO., LTD. (JP) 1985-01-02 — — EP 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 (7 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-20050288319-A1 CCR1 antagonists and methods of use therefor CCR1, CCRL2, CCR4 MAOA 4641/4885MAOB 4392/4885PTPRC 2637/4885
US-20100249174-A1 CCR1 ANTAGONISTS AND METHODS OF USE THEREFOR CCR1, CCRL2, CCR4 MAOA 4641/4885MAOB 4392/4885PTPRC 2637/4885
US-20130289063-A1 CCR1 ANTAGONISTS AND METHODS OF USE THEREFOR CCR1, CCRL2, CCR4 MAOA 4641/4885MAOB 4392/4885PTPRC 2637/4885
US-20040106639-A1 CCR1 antagonists and methods of use therefor CCR1, CCRL2, CCR4 MAOA 4732/4885MAOB 4517/4885PTPRC 2924/4885
US-20080139602-A1 CCR1 antagonists and methods of use therefor CCR1, CCRL2, CCR4 MAOA 4641/4885MAOB 4392/4885PTPRC 2637/4885
US-20110230516-A1 CCR1 Antagonists and Methods of Use Therefor CCR1, CCRL2, CCR4 MAOA 4641/4885MAOB 4392/4885PTPRC 2637/4885
US-20150005338-A1 CCR1 ANTAGONISTS AND METHODS OF USE THEREOF CCR1, CCR3, CCR4 MAOA 4073/4885MAOB 3714/4885PTPRC 2236/4885

“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.