SCHEMBL2763503

SCHEMBL2763503

O=c1[nH]c2c(c3ccccc13)C(Br)c1ccccc1-2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 4/20 0.40
PARP1 P09874 14/20 0.38
KDM4E B2RXH2 2/20 0.38
TNKS O95271 2/20 0.38
PARP15 Q460N3 2/20 0.38
TNKS2 Q9H2K2 2/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
GPR3 P46089 1/20 0.38
BLM P54132 1/20 0.38
PMP22 Q01453 1/20 0.38
KMT2A Q03164 1/20 0.38
HSD17B10 Q99714 1/20 0.38
AURKA O14965 1/20 0.33
CA12 O43570 1/20 0.33
CA9 Q16790 1/20 0.33
CASP7 P55210 1/20 0.33
CASP6 P55212 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
SCHEMBL14028600 1.00 SERPINE1 (0.40) SERPINE1PARP1KDM4ETNKSPARP15
SCHEMBL2763287 0.81 SERPINE1 (0.47) SERPINE1PARP1KDM4ETNKSPARP15
SCHEMBL13911518 0.81 SERPINE1 (0.40) SERPINE1PARP1KDM4ETNKSPARP15
SCHEMBL13376141 0.81 SERPINE1 (0.47) SERPINE1PARP1KDM4ETNKSPARP15
SCHEMBL14028585 0.81 SERPINE1 (0.40) SERPINE1PARP1KDM4ETNKSPARP15
SCHEMBL14028594 0.81 SERPINE1 (0.47) SERPINE1PARP1KDM4ETNKSPARP15
SCHEMBL13377604 0.81 SERPINE1 (0.47) SERPINE1PARP1KDM4ETNKSPARP15
SCHEMBL2763106 0.77 GPR3 (0.47) SERPINE1PARP1KDM4ETNKSPARP15
SCHEMBL2763720 0.74 SERPINE1 (0.35) SERPINE1PARP1KDM4ETNKSPARP15
SCHEMBL2783849 0.74 SERPINE1 (0.35) SERPINE1PARP1KDM4ETNKSPARP15

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 22 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-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-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-7268143-B2 Isoquinoline derivatives and methods of use thereof INOTEK PHARMACEUTICALS CORPORATION (US) 2007-09-11 US disclosed
US-7268143-B2 Isoquinoline derivatives and methods of use thereof INOTEK PHARMACEUTICALS CORPORATION (US) 2007-09-11 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
WO-2005082368-A1 ISOQUINOLINE DERIVATIVES AND METHODS OF USE THEREOF INOTEK PHARMACEUTICALS CORPORATION (US) 2005-09-09 WO 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
WO-2004078712-A2 ISOQUINOLINE DERIVATIVES AND METHODS OF USE THEREOF INOTEK PHARMACEUTICALS CORPORATION (US) 2004-09-16 WO 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

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

For each of this compound's patents that has machine-readable text (6 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 2616/4885PARP1 327/4885KDM4E 3282/4885
US-20080262016-A1 ISOQUINOLINE DERIVATIVES AND METHODS OF USE THEREOF CYP3A7, CYP3A5, ABCG2 SERPINE1 4141/4885PARP1 363/4885KDM4E 1995/4885
US-20030171392-A1 Substituted indeno[1,2-c]isoquinoline derivatives and methods of use thereof CYP1B1, UGT1A1, CYP4B1 SERPINE1 4220/4885PARP1 337/4885KDM4E 2756/4885
US-20050282848-A1 Isoquinoline derivatives and methods of use thereof CYP3A7, CYP3A5, ABCG2 SERPINE1 4141/4885PARP1 363/4885KDM4E 1995/4885
US-20040039009-A1 Isoquinoline derivatives and methods of use thereof CYP3A7, CYP3A5, ABCG2 SERPINE1 4141/4885PARP1 363/4885KDM4E 1995/4885
US-20050049270-A1 Isoquinoline derivatives and methods of use thereof CYP3A7, CYP3A5, ABCG2 SERPINE1 4141/4885PARP1 363/4885KDM4E 1995/4885

“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.