SCHEMBL6437334

SCHEMBL6437334

CC(C)(C)OC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc2c(N(Cl)C(=N)N)cncc2c1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 2/20 0.49
MAPT P10636 9/20 0.44
TDP1 Q9NUW8 5/20 0.44
POLB P06746 3/20 0.44
HCRTR1 O43613 1/20 0.41
NPSR1 Q6W5P4 6/20 0.41
KDM4E B2RXH2 2/20 0.41
ATM Q13315 1/20 0.41
MAPK1 P28482 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
MLYCD O95822 1/20 0.40
ALDH1A1 P00352 1/20 0.40
RECQL P46063 1/20 0.40
PAX8 Q06710 1/20 0.40

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
SCHEMBL6434667 0.89 CTSL (0.42) ROCK2POLBALDH1A1
SCHEMBL6432699 0.88 GRN (0.38) ROCK2
SCHEMBL6434401 0.88 TAS1R3 (0.42) MAPTTDP1POLBNPSR1KDM4E
Trifluoroacetic Acid SCHEMBL7450905 0.86 CA2 (0.44) ROCK2
SCHEMBL7391218 0.85 ROCK2 (0.34) ROCK2MAPTTDP1POLBNPSR1
SCHEMBL6432708 0.84 POLB (0.40) MAPTPOLBMEN1KMT2AALDH1A1
SCHEMBL6433230 0.84 ROCK2 (0.41) ROCK2
SCHEMBL6432917 0.83 TAS1R3 (0.37) ROCK2
SCHEMBL6437619 0.79 PTPRC (0.42) MAPTKDM4EMEN1KMT2A
SCHEMBL7369532 0.78 ITGB3 (0.46) ROCK2

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 2546/4885MAPT 2392/4885TDP1 637/4885
US-20050026836-A1 Composition for the treatment of damaged tissue MMP1, SERPINE1, COL14A1 ROCK2 2546/4885MAPT 2392/4885TDP1 637/4885

“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.