SCHEMBL6437525

SCHEMBL6437525

CN(Cc1ccc2c(Cl)cnc(NC(=N)N)c2c1)[C@H](C(=O)OC(C)(C)C)c1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PLAU P00749 5/20 0.34
AURKA O14965 2/20 0.33
RPS6KB1 P23443 2/20 0.33
MAPK1 P28482 2/20 0.33
S1PR3 Q99500 2/20 0.33
S1PR2 O95136 1/20 0.33
MDM2 Q00987 1/20 0.32
BACE1 P56817 1/20 0.32
ALDH1A1 P00352 1/20 0.31
RORC P51449 2/20 0.31
HCRTR1 O43613 1/20 0.31
RORB Q92753 1/20 0.31
PLG P00747 1/20 0.31
PLAT P00750 1/20 0.31
MAPK8 P45983 1/20 0.31
NR4A1 P22736 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MAPT P10636 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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
Hydrochloric Acid SCHEMBL6960293 0.99 PLAU (0.33) PLAUAURKARPS6KB1MAPK1S1PR3
SCHEMBL7367873 0.87 PLAU (0.33) PLAUAURKAS1PR3S1PR2BACE1
SCHEMBL6434228 0.86 OPRM1 (0.36) PLAUS1PR3S1PR2MDM2ALDH1A1
Trifluoroacetic Acid SCHEMBL6433381 0.86 PLAU (0.36) PLAUS1PR3S1PR2MDM2ALDH1A1
SCHEMBL6434091 0.80 NR1D1 (0.38) PLAURORCNR4A1
SCHEMBL6437521 0.76 BCL2L1 (0.32) PLAU
SCHEMBL6437339 0.76 PLAU (0.59) PLAUPLGPLAT
Hydrochloric Acid SCHEMBL6960291 0.75 BCL2L1 (0.32) PLAU
SCHEMBL6437336 0.75 ROCK2 (0.48) MAPK1ALDH1A1HCRTR1KDM4EMAPT
SCHEMBL6432712 0.74 PLAU (0.46) PLAUMAPK1ALDH1A1PLGPLAT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050026836-A1 Composition for the treatment of damaged tissue DACK KEVIN NEIL (GB) 2005-02-03 US disclosed
US-20030199440-A1 Composition for the treatment of damaged tissue PFIZER INC. 2003-10-23 US disclosed
EP-1077945-B1 ISOQUINOLINES AS UROKINASE INHIBITORS PFIZER (US) 2003-01-08 EP disclosed
EP-1077945-A1 ISOQUINOLINES AS UROKINASE INHIBITORS PFIZER INC. (US) 2001-02-28 EP disclosed
US-6093731-A Isoquinolines PFIZER INC. 2000-07-25 US disclosed
WO-2000005214-A2 ISOQUINOLINES AS UROKINASE INHIBITORS PFIZER INC. (US) 2000-02-03 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 (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-20030199440-A1 Composition for the treatment of damaged tissue MMP1, SERPINE1, COL14A1 PLAU 119/4885AURKA 4252/4885RPS6KB1 1951/4885
US-20050026836-A1 Composition for the treatment of damaged tissue MMP1, SERPINE1, COL14A1 PLAU 119/4885AURKA 4252/4885RPS6KB1 1951/4885

“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.