SCHEMBL6435943

SCHEMBL6435943

NCc1ccc2c(NC(=O)c3ccccc3)nccc2c1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 7/20 0.51
ROCK1 Q13464 2/20 0.49
LOXL2 Q9Y4K0 6/20 0.48
LOX P28300 5/20 0.48
CSF1R P07333 1/20 0.47
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
KLKB1 P03952 1/20 0.43
KLK1 P06870 1/20 0.43
TMIGD3 P0DMS9 1/20 0.43
HDAC1 Q13547 1/20 0.42
HTT P42858 1/20 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
SCHEMBL6435363 0.89 CSF1R (0.53) ADORA3CSF1RNPC1RAB9AKLKB1
SCHEMBL1206235 0.82 ADORA3 (0.55) ADORA3NPC1RAB9ATMIGD3
SCHEMBL6434738 0.82 ADORA3 (0.55) ADORA3NPC1RAB9A
SCHEMBL1204620 0.81 ADORA3 (0.54) ADORA3NPC1RAB9ATMIGD3HTT
SCHEMBL6439071 0.81 ADORA3 (0.54) ADORA3NPC1RAB9A
SCHEMBL5874038 0.80 ADORA3 (0.62) ADORA3NPC1RAB9ATMIGD3HTT
SCHEMBL6438858 0.80 CSF1R (0.54) ADORA3CSF1RNPC1RAB9ATMIGD3
SCHEMBL6435371 0.79 ADORA3 (0.52) ADORA3NPC1RAB9ATMIGD3HTT
SCHEMBL18666640 0.78 RAB9A (0.52) ADORA3NPC1RAB9AHTT
SCHEMBL15350760 0.76 LOXL2 (0.57) LOXL2LOXNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1505062-A1 Heterocyclic derivatives and their use as antithrombotic agents Akzo Nobel N.V. (NL) 2005-02-09 EP disclosed
US-6797710-B2 CARDIOVASCULAR DISORDERS; SERINE PROTEASE INHIBITOR; ADMINISTERING BY MOUTH; BIOAVAILABILITY AKZO NOBEL N.V. (NL) 2004-09-28 US disclosed
US-20030130270-A1 Heterocyclic derivatives and their use as antithrombotic agents MERCK SHARP & DOHME B.V. (NL) 2003-07-10 US disclosed
US-6444672-B1 ORAL BIOVAILABILITY; INHIBITORS OF THROMBIN AND/OR FACTOR XA; SERINE PROTEASE INHIBITOR AKZO NOBEL N.V. (NL) 2002-09-03 US disclosed
US-6432955-B1 ANTICOAGULANTS AKZO NOBEL N.V. (NL) 2002-08-13 US disclosed
US-6194409-B1 SERINE PROTEASE INHIBITOR; BIOAVAILABILITY WHEN ADMINISTERED BY MOUTH AKZO NOBEL N.V. (NL) 2001-02-27 US disclosed
EP-0975600-A1 HETEROCYCLIC DERIVATIVES AND THEIR USE AS ANTITHROMBOTIC AGENTS Akzo Nobel N.V. (NL) 2000-02-02 EP disclosed
WO-1998047876-A1 HETEROCYCLIC DERIVATIVES AND THEIR USE AS ANTITHROMBOTIC AGENTS AKZO NOBEL N.V. (NL) 1998-10-29 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 (1 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-20030130270-A1 Heterocyclic derivatives and their use as antithrombotic agents F2, F12, VKORC1 ADORA3 178/4885ROCK1 1266/4885LOXL2 2126/4885

“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.