SCHEMBL6436328

SCHEMBL6436328

NC(=O)c1cc2c(N)nccc2s1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAPK3 O43293 5/20 0.47
PIM1 P11309 5/20 0.47
PRKACA P17612 5/20 0.47
KDR P35968 5/20 0.47
MAPK8 P45983 5/20 0.47
GSK3A P49840 5/20 0.47
GSK3B P49841 5/20 0.47
LIMK1 P53667 5/20 0.47
CDK5 Q00535 5/20 0.47
RPS6KA3 P51812 4/20 0.47
FGFR1 P11362 4/20 0.47
PRKAA1 Q13131 4/20 0.47
DYRK1A Q13627 4/20 0.47
AURKB Q96GD4 4/20 0.47
CDK8 P49336 4/20 0.47
FLT1 P17948 3/20 0.47
ROCK1 Q13464 3/20 0.47
AURKA O14965 3/20 0.47
PRKD3 O94806 3/20 0.47
CSNK1A1 P48729 3/20 0.47

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
SCHEMBL23846517 0.82 ICAM1 (0.53) DAPK3PIM1PRKACAKDRMAPK8
SCHEMBL4463166 0.73 ICAM1 (0.56) DAPK3PIM1PRKACAKDRMAPK8
SCHEMBL7055757 0.72 ICAM1 (0.63) CDK8ICAM1SELEVCAM1CCNC
SCHEMBL7057328 0.72 ICAM1 (0.60) PIM1PRKACAGSK3AGSK3BCDK5
SCHEMBL27688039 0.72 NOS3 (0.38) KDRLIMK1CDK5AURKBROCK1
SCHEMBL8140505 0.72 NOS2 (0.41) KDRAURKBROCK1AURKAMAP4K4
SCHEMBL6453012 0.71 HCAR2 (0.37) MAPK1PIM2
SCHEMBL6453018 0.71 HCAR2 (0.37) MAPK1PIM2
SCHEMBL9431027 0.69 PLAU (0.73) DAPK3PIM1PRKACAKDRMAPK8
SCHEMBL6436332 0.69 CYP2A6 (0.49) KDRAURKBROCK1AURKA

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 DAPK3 3516/4885PIM1 2304/4885PRKACA 2547/4885

“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.