SCHEMBL6437671

SCHEMBL6437671

CC(C)(C)OC(=O)C1CCCN1C(=O)c1ccc2c(Cl)cnc(NC(=N)N)c2c1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.49
LRRK2 Q5S007 1/20 0.40
AVPR2 P30518 1/20 0.39
ALDH1A1 P00352 2/20 0.39
PARP1 P09874 1/20 0.38
NPC1 O15118 1/20 0.38
PDK2 Q15119 1/20 0.38
CNR2 P34972 1/20 0.38
CCNC P24863 1/20 0.37
CDK8 P49336 1/20 0.37
PLAU P00749 2/20 0.36
JAK2 O60674 1/20 0.36

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
SCHEMBL6434373 0.86 ROCK2 (0.54) ROCK2LRRK2AVPR2ALDH1A1PDK2
SCHEMBL6434377 0.86 ROCK2 (0.54) ROCK2LRRK2AVPR2ALDH1A1PDK2
Trifluoroacetic Acid SCHEMBL6436057 0.84 PLAU (0.42) ALDH1A1PLAU
Trifluoroacetic Acid SCHEMBL6436061 0.84 PLAU (0.42) ALDH1A1PLAU
SCHEMBL6434561 0.82 PLAU (0.55) PLAU
SCHEMBL6435378 0.82 PLAU (0.55) PLAU
SCHEMBL6977697 0.80 PLAU (0.55) NPC1PLAU
SCHEMBL6437669 0.74 ROCK2 (0.48) ROCK2AVPR2ALDH1A1PARP1PDK2
SCHEMBL6437624 0.74 PTPRC (0.43) LRRK2ALDH1A1
SCHEMBL6437192 0.73 CASP3 (0.49) ALDH1A1PLAUJAK2

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
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-1242120-A2 COMBINATIONS OF GROWTH FACTORS AND I:UPA OR I:MMP FOR THE TREATMENT OF DAMAGED TISSUE Pfizer Limited (GB) 2002-09-25 EP disclosed
WO-2001049309-A2 COMBINATIONS OF GROWTH FACTORS AND I: UPA OR I: MMP FOR THE TREATMENT OF DAMAGED TISSUE PFIZER LIMITED (GB) 2001-07-12 WO 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 ROCK2 2546/4885LRRK2 3366/4885AVPR2 3408/4885
US-20050026836-A1 Composition for the treatment of damaged tissue MMP1, SERPINE1, COL14A1 ROCK2 2546/4885LRRK2 3366/4885AVPR2 3408/4885

“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.