SCHEMBL2764280

SCHEMBL2764280

CN(C)CC(=O)Nc1ccc2c(=O)[nH]c3c(c2c1)Cc1ccccc1-3

nearest known ligand 0.80

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 13/20 0.80
TNKS O95271 1/20 0.59
PARP15 Q460N3 1/20 0.59
PARP14 Q460N5 1/20 0.59
PARP10 Q53GL7 1/20 0.59
PARP12 Q9H0J9 1/20 0.59
TNKS2 Q9H2K2 1/20 0.59
PARP2 Q9UGN5 1/20 0.59
PARP4 Q9UKK3 1/20 0.59
PARP3 Q9Y6F1 1/20 0.59
TRPM2 O94759 1/20 0.57
NPY5R Q15761 4/20 0.47
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45

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
SCHEMBL4762553 0.89 PARP1 (1.00) PARP1TNKSPARP15PARP14PARP10
SCHEMBL8290025 0.86 PARP1 (0.64) PARP1TNKSPARP15PARP14PARP10
SCHEMBL14028586 0.81 PARP1 (0.58) PARP1NPC1RAB9A
SCHEMBL7197409 0.76 PARP1 (0.57) PARP1
SCHEMBL2764191 0.76 PARP1 (0.81) PARP1
SCHEMBL6080430 0.75 PARP1 (1.00) PARP1NPC1RAB9A
Pj34 SCHEMBL422317 0.74 PARP1 (1.00) PARP1TNKSPARP15PARP14PARP10
Pj34 SCHEMBL29375455 0.74 PARP1 (1.00) PARP1TNKSPARP15PARP14PARP10
Pj34 SCHEMBL29355630 0.74 PARP1 (1.00) PARP1TNKSPARP15PARP14PARP10
SCHEMBL4066767 0.74 PARP1 (0.82) PARP1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1420785-B1 SUBSTITUTED INDENO [1,2-C]ISOQUINOLINE DERIVATIVES AND METHODS OF USE THEREOF INOTEK PHARMACEUTICALS CORP (US) 2010-04-28 EP disclosed
EP-1420785-B1 SUBSTITUTED INDENO [1,2-C]ISOQUINOLINE DERIVATIVES AND METHODS OF USE THEREOF INOTEK PHARMACEUTICALS CORP (US) 2010-04-28 EP disclosed
EP-2174659-A1 Substituted indeno[1,2-c]isoquinoline derivatives and uses thereof Inotek Pharmaceuticals Corporation (US) 2010-04-14 EP disclosed
EP-2174659-A1 Substituted indeno[1,2-c]isoquinoline derivatives and uses thereof Inotek Pharmaceuticals Corporation (US) 2010-04-14 EP disclosed
EP-2033645-A1 Isoquinoline derivatives and methods of use thereof Inotek Pharmaceuticals Corporation (US) 2009-03-11 EP disclosed
US-20080262016-A1 ISOQUINOLINE DERIVATIVES AND METHODS OF USE THEREOF INOTEK PHARMACEUTICALS CORPORATION (US) 2008-10-23 US disclosed
US-20080262016-A1 ISOQUINOLINE DERIVATIVES AND METHODS OF USE THEREOF INOTEK PHARMACEUTICALS CORPORATION (US) 2008-10-23 US disclosed
US-20080262016-A1 ISOQUINOLINE DERIVATIVES AND METHODS OF USE THEREOF INOTEK PHARMACEUTICALS CORPORATION (US) 2008-10-23 US disclosed
US-7393955-B2 Isoquinoline derivatives and methods of use thereof INOTEK PHARMACEUTICALS CORPORATION (US) 2008-07-01 US disclosed
US-7393955-B2 Isoquinoline derivatives and methods of use thereof INOTEK PHARMACEUTICALS CORPORATION (US) 2008-07-01 US disclosed
US-20050282848-A1 Isoquinoline derivatives and methods of use thereof INOTEK PHARMACEUTICALS CORPORATION (US) 2005-12-22 US disclosed
US-6956035-B2 Isoquinoline derivatives and methods of use thereof INOTEK PHARMACEUTICALS CORPORATION (US) 2005-10-18 US disclosed
US-20050049270-A1 Isoquinoline derivatives and methods of use thereof JAGTAP PRAKASH (US) 2005-03-03 US disclosed
CN-1575172-A Substituted indeno [1, 2-c ] isoquinoline derivatives and methods of use thereof INOTEK PHARMACEUTICALS CORP (US) 2005-02-02 CN disclosed
US-6828319-B2 Antiinflamamtory agents; strokes; cardiovascular disorders INOTEK PHARMACEUTICALS CORPORATION 2004-12-07 US disclosed
EP-1420785-A2 SUBSTITUTED INDENO 1,2-c]ISOQUINOLINE DERIVATIVES AND METHODS OF USE THEREOF Inotek Pharmaceuticals Corporation (US) 2004-05-26 EP disclosed
US-20040039009-A1 Isoquinoline derivatives and methods of use thereof INOTEK PHARMACEUTICALS CORPORATION 2004-02-26 US disclosed
US-20030171392-A1 Substituted indeno[1,2-c]isoquinoline derivatives and methods of use thereof INOTEK PHARMACEUTICALS CORPORATION 2003-09-11 US disclosed
WO-2003020700-A2 SUBSTITUTED INDENO[1,2-c]ISOQUINOLINE DERIVATIVES AND METHODS OF USE THEREOF INOTEK PHARMACEUTICALS CORPORATION (US) 2003-03-13 WO disclosed
WO-2003020700-A2 SUBSTITUTED INDENO[1,2-c]ISOQUINOLINE DERIVATIVES AND METHODS OF USE THEREOF INOTEK PHARMACEUTICALS CORPORATION (US) 2003-03-13 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 (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-20080262016-A1 ISOQUINOLINE DERIVATIVES AND METHODS OF USE THEREOF CYP3A7, CYP3A5, ABCG2 PARP1 363/4885TNKS 371/4885PARP15 112/4885
US-20030171392-A1 Substituted indeno[1,2-c]isoquinoline derivatives and methods of use thereof CYP1B1, UGT1A1, CYP4B1 PARP1 337/4885TNKS 620/4885PARP15 326/4885
US-20050282848-A1 Isoquinoline derivatives and methods of use thereof CYP3A7, CYP3A5, ABCG2 PARP1 363/4885TNKS 371/4885PARP15 112/4885
US-20040039009-A1 Isoquinoline derivatives and methods of use thereof CYP3A7, CYP3A5, ABCG2 PARP1 363/4885TNKS 371/4885PARP15 112/4885
US-20050049270-A1 Isoquinoline derivatives and methods of use thereof CYP3A7, CYP3A5, ABCG2 PARP1 363/4885TNKS 371/4885PARP15 112/4885

“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.