Sugi Predict

Sugi Predict / Compounds / SCHEMBL577336

SCHEMBL577336

SCHEMBL577336

COc1cc2c[c][nH]c2cc1OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EHMT2 Q96KQ7 1/20 0.48
▸ GRIN2D O15399 2/20 0.45
▸ GRIN3B O60391 2/20 0.45
▸ GRIN1 Q05586 2/20 0.45
▸ GRIN2A Q12879 2/20 0.45
▸ GRIN2B Q13224 2/20 0.45
▸ GRIN2C Q14957 2/20 0.45
▸ GRIN3A Q8TCU5 2/20 0.45
▸ ALDH1A1 P00352 5/20 0.43
▸ PDE4A P27815 1/20 0.39
▸ PDE4B Q07343 1/20 0.39
▸ PDE4C Q08493 1/20 0.39
▸ PDE4D Q08499 1/20 0.39
▸ KDM4E B2RXH2 3/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ HPGD P15428 1/20 0.37
▸ PDE3B Q13370 1/20 0.36
▸ PDE3A Q14432 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ MAPT P10636 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
SCHEMBL9741704 0.85 MAPT (0.42) EHMT2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL533492 0.72 MEN1 (0.53) ALDH1A1KDM4ESMN1; SMN2HPGDMAPT
SCHEMBL9738939 0.72 GAK (0.43) ALDH1A1PDE4CKDM4ESMN1; SMN2HPGD
SCHEMBL5865329 0.71 KDM4E (0.46) ALDH1A1KDM4ESMN1; SMN2HPGDCYP3A4
SCHEMBL11496731 0.71 ALDH1A1 (0.63) EHMT2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL315575 0.70 AXL (0.53) ALDH1A1KDM4EHPGDPDE3BPDE3A
SCHEMBL9740024 0.69 KDM4E (0.44) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL27765191 0.68 ALDH1A1 (0.60) EHMT2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL2138144 0.68 ALDH1A1 (0.60) EHMT2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL6442946 0.67 ABCG2 (0.40) ALDH1A1KDM4ESMN1; SMN2HPGDPDE3B

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9284307-B2 Macrocyclic serine protease inhibitors IDENIX PHARMACEUTICALS LLC (US) 2016-03-15 — — US disclosed
US-8993595-B2 Macrocyclic serine protease inhibitors IDENIX PHARMACEUTICALS, INC. (US) 2015-03-31 — — US disclosed
US-20130224147-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2013-08-29 — — US disclosed
US-8377962-B2 Macrocyclic serine protease inhibitors IDENIX PHARMACEUTICALS, INC. (US) 2013-02-19 — — US disclosed
EP-2461811-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS USEFUL AGAINST VIRAL INFECTIONS, PARTICULARLY HCV IDENIX Pharmaceuticals, Inc. (US) 2012-06-13 — — EP disclosed
EP-2417134-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX Pharmaceuticals, Inc. (US) 2012-02-15 — — EP disclosed
US-20110129443-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2011-06-02 — — US disclosed
WO-2011017389-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS USEFUL AGAINST VIRAL INFECTIONS, PARTICULARLY HCV IDENIX PHARMACEUTICALS, INC. (US) 2011-02-10 — — WO disclosed
WO-2010118078-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2010-10-14 — — WO disclosed
US-20100260710-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2010-10-14 — — US disclosed
EP-1386923-B1 NOVEL ADENINE DERIVATIVES DAINIPPON SUMITOMO PHARMA CO (JP) 2008-08-13 — — EP disclosed
US-20070037832-A1 2-butylamino-8-hydroxy-9-(6-methyl-3-pyridylmethyl)adenine; interferon inducing activity; antiviral, antiallergic agent; immune response modulator; hepatitis B and C, asthma, atopic dermatitis DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-02-15 — — US disclosed
US-7157465-B2 Adenine derivatives DAINIPPON SIMITOMO PHARMA CO., LTD. (JP) 2007-01-02 — — US disclosed
US-6884802-B2 6-heteroarylphenanthridines ALTANA PHARMA AG (DE) 2005-04-26 — — US disclosed
EP-1303506-B1 6-HETEROARYLPHENANTHRIDINES ALTANA PHARMA AG (DE) 2005-02-02 — — EP disclosed
US-20040038979-A1 Treating airway disorders such as asthma. ALTANA PHARMA AG (DE) 2004-02-26 — — US disclosed
EP-1386923-A1 NOVEL ADENINE DERIVATIVES SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2004-02-04 — — EP disclosed
EP-1303506-A1 6-HETEROARYLPHENANTHRIDINES Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 2003-04-23 — — EP disclosed
WO-2002006270-A1 NOVEL 6-HETEROARYLPHENANTHRIDINES ALTANA PHARMA AG (DE) 2002-01-24 — — WO disclosed
US-5175157-A Cardiovascular disorders BOEHRINGER INGELHEIM GMBH (DE) 1992-12-29 — — 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 (5 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-20040038979-A1 Treating airway disorders such as asthma. PTGER4, PDE4B, PDE4A EHMT2 1976/4885GRIN2D 3934/4885GRIN3B 3157/4885
US-20070037832-A1 2-butylamino-8-hydroxy-9-(6-methyl-3-pyridylmethyl)adenine; interferon inducing activity; antiviral, antiallergic agent; immune response modulator; hepatitis B and C, asthma, atopic dermatitis IRF3, IFNAR1, IFNG EHMT2 358/4885GRIN2D 3957/4885GRIN3B 2835/4885
US-20110129443-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS SERPINB1, SPINT2, PRSS1 EHMT2 4846/4885GRIN2D 4660/4885GRIN3B 4309/4885
US-20130224147-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS SERPINB1, SPINT2, PRSS1 EHMT2 4846/4885GRIN2D 4660/4885GRIN3B 4309/4885
US-20100260710-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS SERPINB1, SPINT2, PRSS1 EHMT2 4846/4885GRIN2D 4660/4885GRIN3B 4309/4885

“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.