SCHEMBL586181

SCHEMBL586181

c1cnn(CCOc2ccc3c(c2)C[N]C3)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.45
▸ PRKAB2 O43741 1/20 0.40
▸ PRKAG1 P54619 1/20 0.40
▸ PRKAA2 P54646 1/20 0.40
▸ PRKAA1 Q13131 1/20 0.40
▸ PRKAG3 Q9UGI9 1/20 0.40
▸ PRKAG2 Q9UGJ0 1/20 0.40
▸ PRKAB1 Q9Y478 1/20 0.40
▸ ALDH1A1 P00352 4/20 0.39
▸ ALOX15 P16050 2/20 0.39
▸ IDO1 P14902 1/20 0.39
▸ HPGD P15428 2/20 0.38
▸ JAK2 O60674 1/20 0.38
▸ THRB P10828 1/20 0.38
▸ BPTF Q12830 1/20 0.37
▸ CECR2 Q9BXF3 1/20 0.37
▸ BRD9 Q9H8M2 1/20 0.37
▸ MCL1 Q07820 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ NFKB1 P19838 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
SCHEMBL330605 0.83 TSHR (0.44) TSHRPRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL577896 0.76 KDM4E (0.58) ALDH1A1KDM4ELMNA
SCHEMBL14959466 0.75 ABHD6 (0.45) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL11936444 0.75 ABHD6 (0.45) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL9404848 0.75 CYP3A4 (0.43) TSHRALDH1A1THRBNPC1RAB9A
SCHEMBL15300912 0.74 MAPK1 (0.55) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL10785391 0.74 THRB (0.48) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL12269283 0.74 THRB (0.45) TSHRPRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL3861581 0.74 LTA4H (0.45) TSHRPRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL11866 0.73 KMT2A (0.56) TSHRALDH1A1NPC1RAB9ASMN1; SMN2

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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20110129443-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS SERPINB1, SPINT2, PRSS1 TSHR 4260/4885PRKAB2 4235/4885PRKAG1 4059/4885
US-20130224147-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS SERPINB1, SPINT2, PRSS1 TSHR 4260/4885PRKAB2 4235/4885PRKAG1 4059/4885
US-20100260710-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS SERPINB1, SPINT2, PRSS1 TSHR 4260/4885PRKAB2 4235/4885PRKAG1 4059/4885

“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.

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