SCHEMBL4074785

SCHEMBL4074785

O=c1[nH]c2c3ccccc3sc2c2ccccc12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.62
KMT2A Q03164 3/20 0.62
MAPT P10636 3/20 0.62
RAB9A P51151 1/20 0.62
TNKS O95271 5/20 0.56
TNKS2 Q9H2K2 5/20 0.56
ERCC5 P28715 1/20 0.55
FEN1 P39748 1/20 0.55
PARP1 P09874 5/20 0.44
KDM4E B2RXH2 5/20 0.43
ALDH1A1 P00352 5/20 0.43
HTT P42858 2/20 0.43
HCRTR1 O43613 1/20 0.43
HPGD P15428 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
CDK4 P11802 1/20 0.43
CCND1 P24385 1/20 0.43
MAP3K9 P80192 1/20 0.43
MAP3K11 Q16584 1/20 0.43
GPR3 P46089 2/20 0.42

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
SCHEMBL18647351 0.91 MEN1 (0.53) MEN1KMT2AMAPTRAB9ATNKS
SCHEMBL18646829 0.84 TNKS (0.59) MEN1KMT2AMAPTRAB9ATNKS
SCHEMBL18647418 0.83 TNKS (0.58) MEN1KMT2AMAPTRAB9ATNKS
SCHEMBL18646824 0.83 TNKS (0.54) MEN1KMT2AMAPTRAB9ATNKS
SCHEMBL18646713 0.82 TNKS (0.53) MEN1KMT2AMAPTRAB9ATNKS
SCHEMBL8049657 0.80 MAPT (0.56) MEN1KMT2AMAPTRAB9ATNKS
SCHEMBL18774624 0.80 MAPT (0.70) MEN1KMT2AMAPTRAB9ATNKS
SCHEMBL24701633 0.79 MAPT (0.63) MEN1KMT2AMAPTRAB9ATNKS
SCHEMBL8654364 0.77 MEN1 (1.00) MEN1KMT2AMAPTRAB9ATNKS
SCHEMBL30363482 0.77 MEN1 (1.00) MEN1KMT2AMAPTRAB9ATNKS

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2033645-A1 Isoquinoline derivatives and methods of use thereof Inotek Pharmaceuticals Corporation (US) 2009-03-11 EP disclosed
EP-2033645-A1 Isoquinoline derivatives and methods of use thereof Inotek Pharmaceuticals Corporation (US) 2009-03-11 EP disclosed
US-7393955-B2 Isoquinoline derivatives and methods of use thereof INOTEK PHARMACEUTICALS CORPORATION (US) 2008-07-01 US disclosed
EP-1784186-A4 METHODS FOR TREATING OR PREVENTING ERECTILE DYSFUNCTION OR URINARY INCONTINENCE INOTEK PHARMACEUTICALS CORP (US) 2008-05-14 EP disclosed
EP-1784186-A2 METHODS FOR TREATING OR PREVENTING ERECTILE DYSFUNCTION OR URINARY INCONTINENCE Inotek Pharmaceuticals Corporation (US) 2007-05-16 EP disclosed
WO-2006009718-A2 METHODS FOR TREATING OR PREVENTING ERECTILE DYSFUNCTION OR URINARY INCONTINENCE INOTEK PHARMACEUTICALS CORPORATION (US) 2006-01-26 WO disclosed
WO-2006009718-A2 METHODS FOR TREATING OR PREVENTING ERECTILE DYSFUNCTION OR URINARY INCONTINENCE INOTEK PHARMACEUTICALS CORPORATION (US) 2006-01-26 WO 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
WO-2005082368-A1 ISOQUINOLINE DERIVATIVES AND METHODS OF USE THEREOF INOTEK PHARMACEUTICALS CORPORATION (US) 2005-09-09 WO 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

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

For each of this compound's patents that has machine-readable text (4 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 MEN1 4630/4885KMT2A 2948/4885MAPT 2186/4885
US-20060019980-A1 Methods for treating or preventing erectile dysfunction or urinary incontinence PDE3A, PDE3B, PDE5A MEN1 3084/4885KMT2A 2068/4885MAPT 1261/4885
US-20050282848-A1 Isoquinoline derivatives and methods of use thereof CYP3A7, CYP3A5, ABCG2 MEN1 2655/4885KMT2A 2285/4885MAPT 1291/4885
US-20040039009-A1 Isoquinoline derivatives and methods of use thereof CYP3A7, CYP3A5, ABCG2 MEN1 2655/4885KMT2A 2285/4885MAPT 1291/4885

“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.