SCHEMBL1206258

SCHEMBL1206258

CN(C)C(=S)Oc1ccc2c(NC(=O)c3ccccc3)nccc2c1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 11/20 0.46
LMNA P02545 2/20 0.44
MAPT P10636 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
HTT P42858 2/20 0.44
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
ATM Q13315 1/20 0.41
GRIN2D O15399 1/20 0.40
GRIN2C Q14957 1/20 0.40
TMIGD3 P0DMS9 1/20 0.40
FLT3 P36888 1/20 0.39

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
SCHEMBL1206294 0.77 ADORA3 (0.47) ADORA3HTTNPC1RAB9ATMIGD3
SCHEMBL18666640 0.76 RAB9A (0.52) ADORA3HTTNPC1RAB9A
SCHEMBL6434738 0.75 ADORA3 (0.55) ADORA3NPC1RAB9AATM
SCHEMBL1206235 0.75 ADORA3 (0.55) ADORA3NPC1RAB9AATMTMIGD3
SCHEMBL6439071 0.74 ADORA3 (0.54) ADORA3MAPTNPC1RAB9A
SCHEMBL1204620 0.74 ADORA3 (0.54) ADORA3HTTNPC1RAB9ATMIGD3
SCHEMBL5874038 0.73 ADORA3 (0.62) ADORA3HTTNPC1RAB9ATMIGD3
SCHEMBL6435371 0.72 ADORA3 (0.52) ADORA3HTTNPC1RAB9ATMIGD3
SCHEMBL6435363 0.72 CSF1R (0.53) ADORA3HTTNPC1RAB9ATMIGD3
SCHEMBL6435943 0.71 ADORA3 (0.51) ADORA3HTTNPC1RAB9ATMIGD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1963304-B2 ISOQUINOLINE DERIVATIVES MSD OSS BV (NL) 2015-05-13 EP disclosed
US-7893088-B2 6-substituted isoquinoline derivatives N.V. ORGANON (NL) 2011-02-22 US disclosed
EP-2054389-B1 6-SUBSTITUTED ISOQUINOLINE DERIVATIVES AS ROCK-1 INHIBITORS ORGANON NV (NL) 2010-04-07 EP disclosed
US-7618985-B2 Isoquinoline derivatives N.V. ORGANON (NL) 2009-11-17 US disclosed
EP-1963304-B1 ISOQUINOLINE DERIVATIVES ORGANON NV (NL) 2009-06-24 EP disclosed
EP-2054389-A1 6-SUBSTITUTED ISOQUINOLINE DERIVATIVES AS ROCK-1 INHIBITORS N.V. Organon (NL) 2009-05-06 EP disclosed
EP-1963304-A1 ISOQUINOLINE DERIVATIVES N.V. Organon (NL) 2008-09-03 EP disclosed
WO-2008020081-A1 6-SUBSTITUTED ISOQUINOLINE DERIVATIVES AS ROCK-1 INHIBITORS N.V. ORGANON (NL) 2008-02-21 WO disclosed
US-20080045566-A1 6-SUBSTITUTED ISOQUINOLINE DERIVATIVES N.V. ORGANON (NL) 2008-02-21 US disclosed
WO-2007065916-A1 ISOQUINOLINE DERIVATIVES N.V. ORGANON (NL) 2007-06-14 WO disclosed
US-20070135479-A1 Isoquinoline derivatives N.V. ORGANON (NL) 2007-06-14 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 (2 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-20070135479-A1 Isoquinoline derivatives ROCK1, ROCK2, RHOA ADORA3 1462/4885LMNA 1724/4885MAPT 2676/4885
US-20080045566-A1 6-SUBSTITUTED ISOQUINOLINE DERIVATIVES ROCK1, ROCK2, RHOA ADORA3 1508/4885LMNA 731/4885MAPT 2428/4885

“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.