SCHEMBL2763720

SCHEMBL2763720

CCN(CC)C1c2ccccc2-c2[nH]c(=O)c3ccccc3c21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 3/20 0.35
RXFP1 Q9HBX9 1/20 0.34
APAF1 O14727 1/20 0.34
CASP3 P42574 1/20 0.34
CASP6 P55212 1/20 0.34
SENP8 Q96LD8 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
SENP6 Q9GZR1 1/20 0.34
GPR3 P46089 2/20 0.33
PARP1 P09874 5/20 0.33
TNKS2 Q9H2K2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
KMT2A Q03164 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
TNKS O95271 1/20 0.33
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
BLM P54132 1/20 0.33
PMP22 Q01453 1/20 0.33

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
SCHEMBL2763106 0.85 GPR3 (0.47) SERPINE1GPR3PARP1TNKS2ALDH1A1
SCHEMBL14028585 0.77 SERPINE1 (0.40) SERPINE1GPR3PARP1TNKS2ALDH1A1
SCHEMBL2783849 0.76 SERPINE1 (0.35) SERPINE1GPR3PARP1TNKS2ALDH1A1
SCHEMBL13377604 0.74 SERPINE1 (0.47) SERPINE1GPR3PARP1TNKS2ALDH1A1
SCHEMBL14028600 0.74 SERPINE1 (0.40) SERPINE1CASP6GPR3PARP1TNKS2
SCHEMBL2763503 0.74 SERPINE1 (0.40) SERPINE1CASP6GPR3PARP1TNKS2
SCHEMBL14028594 0.74 SERPINE1 (0.47) SERPINE1GPR3PARP1TNKS2ALDH1A1
SCHEMBL2763287 0.74 SERPINE1 (0.47) SERPINE1GPR3PARP1TNKS2ALDH1A1
SCHEMBL13911518 0.74 SERPINE1 (0.40) SERPINE1GPR3PARP1TNKS2ALDH1A1
SCHEMBL13376141 0.74 SERPINE1 (0.47) SERPINE1GPR3PARP1TNKS2ALDH1A1

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 16 patents. 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-7393955-B2 Isoquinoline derivatives and methods of use thereof INOTEK PHARMACEUTICALS CORPORATION (US) 2008-07-01 US disclosed
US-7268143-B2 Isoquinoline derivatives and methods of use thereof INOTEK PHARMACEUTICALS CORPORATION (US) 2007-09-11 US disclosed
US-20060019980-A1 Methods for treating or preventing erectile dysfunction or urinary incontinence INOTEK PHARMACEUTICAL, CORP. (US) 2006-01-26 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-20050228007-A1 Isoquinoline derivatives and methods of use thereof INOTEK PHARMACEUTICALS CORPORATION 2005-10-13 US disclosed
US-20050049270-A1 Isoquinoline derivatives and methods of use thereof JAGTAP PRAKASH (US) 2005-03-03 US disclosed
US-6828319-B2 Antiinflamamtory agents; strokes; cardiovascular disorders INOTEK PHARMACEUTICALS CORPORATION 2004-12-07 US 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

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-20050228007-A1 Isoquinoline derivatives and methods of use thereof GLS, PINK1, PARK7 SERPINE1 2616/4885RXFP1 1444/4885APAF1 797/4885
US-20080262016-A1 ISOQUINOLINE DERIVATIVES AND METHODS OF USE THEREOF CYP3A7, CYP3A5, ABCG2 SERPINE1 4141/4885RXFP1 3874/4885APAF1 4175/4885
US-20030171392-A1 Substituted indeno[1,2-c]isoquinoline derivatives and methods of use thereof CYP1B1, UGT1A1, CYP4B1 SERPINE1 4220/4885RXFP1 2903/4885APAF1 4832/4885
US-20060019980-A1 Methods for treating or preventing erectile dysfunction or urinary incontinence PDE3A, PDE3B, PDE5A SERPINE1 519/4885RXFP1 143/4885APAF1 2537/4885
US-20050282848-A1 Isoquinoline derivatives and methods of use thereof CYP3A7, CYP3A5, ABCG2 SERPINE1 4141/4885RXFP1 3874/4885APAF1 4175/4885
US-20040039009-A1 Isoquinoline derivatives and methods of use thereof CYP3A7, CYP3A5, ABCG2 SERPINE1 4141/4885RXFP1 3874/4885APAF1 4175/4885
US-20050049270-A1 Isoquinoline derivatives and methods of use thereof CYP3A7, CYP3A5, ABCG2 SERPINE1 4141/4885RXFP1 3874/4885APAF1 4175/4885

“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.